Diff of the two buildlogs: -- --- b1/build.log 2024-01-13 00:29:27.927613450 +0000 +++ b2/build.log 2024-01-13 01:47:43.113486454 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Fri Jan 12 10:45:38 -12 2024 -I: pbuilder-time-stamp: 1705099538 +I: Current time: Fri Feb 14 20:52:32 +14 2025 +I: pbuilder-time-stamp: 1739515952 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/bullseye-reproducible-base.tgz] I: copying local configuration @@ -18,7 +18,7 @@ I: copying [./cp2k_8.1-9.debian.tar.xz] I: Extracting source gpgv: unknown type of key resource 'trustedkeys.kbx' -gpgv: keyblock resource '/tmp/dpkg-verify-sig.MYuViTkc/trustedkeys.kbx': General error +gpgv: keyblock resource '/tmp/dpkg-verify-sig.Uz902_hj/trustedkeys.kbx': General error gpgv: Signature made Tue Mar 23 08:04:41 2021 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key @@ -31,51 +31,82 @@ dpkg-source: info: applying testsuite_output.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/9161/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/71933/tmp/hooks/D01_modify_environment starting +debug: Running on ionos16-i386. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Feb 14 06:53 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/71933/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/71933/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='i386' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all,-fixfilepath parallel=8 ' - DISTRIBUTION='bullseye' - HOME='/root' - HOST_ARCH='i386' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="1" [2]="4" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.1.4(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all,-fixfilepath parallel=15 ' + DIRSTACK=() + DISTRIBUTION=bullseye + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=i686 + HOST_ARCH=i386 IFS=' ' - INVOCATION_ID='63fca0423189468794473ca64c6c2ea6' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - LD_LIBRARY_PATH='/usr/lib/libeatmydata' - LD_PRELOAD='libeatmydata.so' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='9161' - PS1='# ' - PS2='> ' + INVOCATION_ID=351995e8c60348c0827a55963b8a7645 + LANG=C + LANGUAGE=de_CH:de + LC_ALL=C + LD_LIBRARY_PATH=/usr/lib/libeatmydata + LD_PRELOAD=libeatmydata.so + MACHTYPE=i686-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=71933 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Xsr3osWs/pbuilderrc_sIj1 --distribution bullseye --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bullseye-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Xsr3osWs/b1 --logfile b1/build.log cp2k_8.1-9.dsc' - SUDO_GID='112' - SUDO_UID='107' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://78.137.99.97:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Xsr3osWs/pbuilderrc_crl6 --distribution bullseye --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bullseye-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Xsr3osWs/b2 --logfile b2/build.log cp2k_8.1-9.dsc' + SUDO_GID=112 + SUDO_UID=107 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://85.184.249.68:3128 I: uname -a - Linux ionos12-i386 6.1.0-17-686-pae #1 SMP PREEMPT_DYNAMIC Debian 6.1.69-1 (2023-12-30) i686 GNU/Linux + Linux i-capture-the-hostname 6.1.0-17-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.69-1 (2023-12-30) x86_64 GNU/Linux I: ls -l /bin total 5776 -rwxr-xr-x 1 root root 1367848 Mar 27 2022 bash @@ -135,7 +166,7 @@ -rwxr-xr-x 1 root root 46984 Sep 22 2020 rmdir -rwxr-xr-x 1 root root 22292 Sep 27 2020 run-parts -rwxr-xr-x 1 root root 125036 Dec 22 2018 sed - lrwxrwxrwx 1 root root 4 Jan 7 09:27 sh -> dash + lrwxrwxrwx 1 root root 9 Feb 14 06:53 sh -> /bin/bash -rwxr-xr-x 1 root root 34696 Sep 22 2020 sleep -rwxr-xr-x 1 root root 83880 Sep 22 2020 stty -rwsr-xr-x 1 root root 79396 Jan 20 2022 su @@ -161,7 +192,7 @@ -rwxr-xr-x 1 root root 2206 Apr 10 2022 zless -rwxr-xr-x 1 root root 1842 Apr 10 2022 zmore -rwxr-xr-x 1 root root 4577 Apr 10 2022 znew -I: user script /srv/workspace/pbuilder/9161/tmp/hooks/D02_print_environment finished +I: user script /srv/workspace/pbuilder/71933/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -390,7 +421,7 @@ Get: 157 http://deb.debian.org/debian bullseye/main i386 libxc5 i386 4.3.4-2 [1355 kB] Get: 158 http://deb.debian.org/debian bullseye/main i386 libxc-dev i386 4.3.4-2 [2291 kB] Get: 159 http://deb.debian.org/debian bullseye/main i386 pkg-config i386 0.29.2-1 [66.3 kB] -Fetched 145 MB in 37s (3915 kB/s) +Fetched 145 MB in 6s (22.7 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package bsdextrautils. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 17763 files and directories currently installed.) @@ -903,8 +934,8 @@ Setting up tzdata (2021a-1+deb11u10) ... Current default time zone: 'Etc/UTC' -Local time is now: Fri Jan 12 22:47:09 UTC 2024. -Universal Time is now: Fri Jan 12 22:47:09 UTC 2024. +Local time is now: Fri Feb 14 06:54:23 UTC 2025. +Universal Time is now: Fri Feb 14 06:54:23 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libasound2-data (1.2.4-1.1) ... @@ -1065,135 +1096,135 @@ OpenJDK Client VM warning: Ignoring option PermSize; support was removed in 8.0 Setting up ca-certificates-java (20190909+deb11u1) ... head: cannot open '/etc/ssl/certs/java/cacerts' for reading: No such file or directory -Adding debian:Comodo_AAA_Services_root.pem -Adding debian:QuoVadis_Root_CA_2_G3.pem -Adding debian:CA_Disig_Root_R2.pem -Adding debian:SwissSign_Gold_CA_-_G2.pem -Adding debian:DigiCert_Assured_ID_Root_CA.pem -Adding debian:DigiCert_High_Assurance_EV_Root_CA.pem -Adding debian:SecureSign_RootCA11.pem -Adding debian:GTS_Root_R4.pem +Adding debian:COMODO_RSA_Certification_Authority.pem +Adding debian:IdenTrust_Commercial_Root_CA_1.pem +Adding debian:Security_Communication_Root_CA.pem +Adding debian:Entrust_Root_Certification_Authority_-_EC1.pem Adding debian:Entrust_Root_Certification_Authority_-_G2.pem -Adding debian:SecureTrust_CA.pem -Adding debian:SSL.com_Root_Certification_Authority_ECC.pem -Adding debian:SwissSign_Silver_CA_-_G2.pem +Adding debian:Trustwave_Global_ECC_P384_Certification_Authority.pem Adding debian:GlobalSign_Root_CA_-_R2.pem -Adding debian:SSL.com_EV_Root_Certification_Authority_RSA_R2.pem -Adding debian:IdenTrust_Public_Sector_Root_CA_1.pem -Adding debian:emSign_ECC_Root_CA_-_G3.pem -Adding debian:certSIGN_ROOT_CA.pem -Adding debian:T-TeleSec_GlobalRoot_Class_3.pem -Adding debian:QuoVadis_Root_CA.pem -Adding debian:TrustCor_RootCert_CA-1.pem -Adding debian:DST_Root_CA_X3.pem -Adding debian:Entrust.net_Premium_2048_Secure_Server_CA.pem -Adding debian:AffirmTrust_Commercial.pem -Adding debian:USERTrust_RSA_Certification_Authority.pem -Adding debian:Hellenic_Academic_and_Research_Institutions_ECC_RootCA_2015.pem -Adding debian:OISTE_WISeKey_Global_Root_GB_CA.pem -Adding debian:AffirmTrust_Networking.pem -Adding debian:Certum_Trusted_Network_CA.pem -Adding debian:IdenTrust_Commercial_Root_CA_1.pem -Adding debian:TeliaSonera_Root_CA_v1.pem -Adding debian:AffirmTrust_Premium.pem -Adding debian:Certigna.pem -Adding debian:Chambers_of_Commerce_Root_-_2008.pem -Adding debian:GlobalSign_Root_CA_-_R6.pem -Adding debian:Starfield_Root_Certificate_Authority_-_G2.pem -Adding debian:Atos_TrustedRoot_2011.pem -Adding debian:Starfield_Class_2_CA.pem -Adding debian:UCA_Global_G2_Root.pem -Adding debian:NAVER_Global_Root_Certification_Authority.pem +Adding debian:Actalis_Authentication_Root_CA.pem +Adding debian:TWCA_Global_Root_CA.pem +Adding debian:COMODO_Certification_Authority.pem +Adding debian:ISRG_Root_X1.pem +Adding debian:Sonera_Class_2_Root_CA.pem +Adding debian:E-Tugra_Certification_Authority.pem Adding debian:Secure_Global_CA.pem -Adding debian:Amazon_Root_CA_3.pem -Adding debian:Go_Daddy_Root_Certificate_Authority_-_G2.pem +Adding debian:GTS_Root_R1.pem +Adding debian:NAVER_Global_Root_Certification_Authority.pem +Adding debian:SwissSign_Gold_CA_-_G2.pem Adding debian:T-TeleSec_GlobalRoot_Class_2.pem -Adding debian:Entrust_Root_Certification_Authority_-_G4.pem -Adding debian:Baltimore_CyberTrust_Root.pem -Adding debian:SZAFIR_ROOT_CA2.pem -Adding debian:USERTrust_ECC_Certification_Authority.pem -Adding debian:TrustCor_RootCert_CA-2.pem -Adding debian:DigiCert_Global_Root_CA.pem Adding debian:QuoVadis_Root_CA_2.pem -Adding debian:DigiCert_Assured_ID_Root_G3.pem -Adding debian:GlobalSign_ECC_Root_CA_-_R4.pem -Adding debian:COMODO_RSA_Certification_Authority.pem -Adding debian:Cybertrust_Global_Root.pem -Adding debian:Microsec_e-Szigno_Root_CA_2009.pem -Adding debian:Trustis_FPS_Root_CA.pem -Adding debian:DigiCert_Global_Root_G3.pem -Adding debian:Hellenic_Academic_and_Research_Institutions_RootCA_2015.pem -Adding debian:OISTE_WISeKey_Global_Root_GC_CA.pem -Adding debian:GeoTrust_Primary_Certification_Authority_-_G2.pem -Adding debian:QuoVadis_Root_CA_1_G3.pem +Adding debian:Amazon_Root_CA_2.pem +Adding debian:Global_Chambersign_Root_-_2008.pem +Adding debian:EC-ACC.pem +Adding debian:Hellenic_Academic_and_Research_Institutions_ECC_RootCA_2015.pem +Adding debian:T-TeleSec_GlobalRoot_Class_3.pem +Adding debian:GTS_Root_R4.pem +Adding debian:DigiCert_High_Assurance_EV_Root_CA.pem +Adding debian:Buypass_Class_3_Root_CA.pem +Adding debian:COMODO_ECC_Certification_Authority.pem +Adding debian:USERTrust_ECC_Certification_Authority.pem +Adding debian:Certigna.pem +Adding debian:AffirmTrust_Premium.pem +Adding debian:Entrust_Root_Certification_Authority_-_G4.pem Adding debian:QuoVadis_Root_CA_3.pem -Adding debian:Hongkong_Post_Root_CA_3.pem -Adding debian:Izenpe.com.pem -Adding debian:GDCA_TrustAUTH_R5_ROOT.pem -Adding debian:Entrust_Root_Certification_Authority_-_EC1.pem -Adding debian:Sonera_Class_2_Root_CA.pem -Adding debian:VeriSign_Universal_Root_Certification_Authority.pem -Adding debian:ACCVRAIZ1.pem Adding debian:D-TRUST_Root_Class_3_CA_2_EV_2009.pem -Adding debian:Certigna_Root_CA.pem -Adding debian:DigiCert_Global_Root_G2.pem -Adding debian:AffirmTrust_Premium_ECC.pem -Adding debian:Hongkong_Post_Root_CA_1.pem -Adding debian:Staat_der_Nederlanden_Root_CA_-_G3.pem -Adding debian:GTS_Root_R3.pem -Adding debian:Microsoft_RSA_Root_Certificate_Authority_2017.pem -Adding debian:Buypass_Class_3_Root_CA.pem -Adding debian:emSign_ECC_Root_CA_-_C3.pem -Adding debian:GlobalSign_Root_CA.pem -Adding debian:GlobalSign_ECC_Root_CA_-_R5.pem -Adding debian:CFCA_EV_ROOT.pem -Adding debian:TWCA_Root_Certification_Authority.pem -Adding debian:Global_Chambersign_Root_-_2008.pem -Adding debian:Security_Communication_RootCA2.pem -Adding debian:COMODO_Certification_Authority.pem -Adding debian:D-TRUST_Root_Class_3_CA_2_2009.pem -Adding debian:ISRG_Root_X1.pem -Adding debian:QuoVadis_Root_CA_3_G3.pem -Adding debian:Staat_der_Nederlanden_EV_Root_CA.pem -Adding debian:GTS_Root_R2.pem -Adding debian:NetLock_Arany_=Class_Gold=_Főtanúsítvány.pem -Adding debian:Buypass_Class_2_Root_CA.pem -Adding debian:TWCA_Global_Root_CA.pem -Adding debian:Actalis_Authentication_Root_CA.pem -Adding debian:GlobalSign_Root_CA_-_R3.pem +Adding debian:Starfield_Root_Certificate_Authority_-_G2.pem +Adding debian:Trustis_FPS_Root_CA.pem +Adding debian:TrustCor_RootCert_CA-1.pem +Adding debian:QuoVadis_Root_CA_2_G3.pem +Adding debian:emSign_Root_CA_-_G1.pem Adding debian:TrustCor_ECA-1.pem -Adding debian:Amazon_Root_CA_4.pem -Adding debian:GTS_Root_R1.pem -Adding debian:EC-ACC.pem -Adding debian:Amazon_Root_CA_2.pem +Adding debian:ePKI_Root_Certification_Authority.pem +Adding debian:NetLock_Arany_=Class_Gold=_Főtanúsítvány.pem +Adding debian:ACCVRAIZ1.pem +Adding debian:SSL.com_Root_Certification_Authority_RSA.pem +Adding debian:emSign_ECC_Root_CA_-_G3.pem +Adding debian:DigiCert_Trusted_Root_G4.pem +Adding debian:SSL.com_Root_Certification_Authority_ECC.pem Adding debian:Autoridad_de_Certificacion_Firmaprofesional_CIF_A62634068.pem -Adding debian:Trustwave_Global_Certification_Authority.pem +Adding debian:Network_Solutions_Certificate_Authority.pem +Adding debian:TWCA_Root_Certification_Authority.pem +Adding debian:GlobalSign_Root_CA.pem +Adding debian:Security_Communication_RootCA2.pem Adding debian:AC_RAIZ_FNMT-RCM.pem -Adding debian:SSL.com_EV_Root_Certification_Authority_ECC.pem -Adding debian:Trustwave_Global_ECC_P256_Certification_Authority.pem -Adding debian:DigiCert_Assured_ID_Root_G2.pem -Adding debian:XRamp_Global_CA_Root.pem +Adding debian:UCA_Global_G2_Root.pem +Adding debian:AffirmTrust_Premium_ECC.pem Adding debian:Hellenic_Academic_and_Research_Institutions_RootCA_2011.pem -Adding debian:Network_Solutions_Certificate_Authority.pem +Adding debian:Hellenic_Academic_and_Research_Institutions_RootCA_2015.pem +Adding debian:Certum_Trusted_Network_CA.pem Adding debian:certSIGN_Root_CA_G2.pem -Adding debian:Entrust_Root_Certification_Authority.pem -Adding debian:Amazon_Root_CA_1.pem -Adding debian:Starfield_Services_Root_Certificate_Authority_-_G2.pem -Adding debian:ePKI_Root_Certification_Authority.pem -Adding debian:SSL.com_Root_Certification_Authority_RSA.pem -Adding debian:Microsoft_ECC_Root_Certificate_Authority_2017.pem -Adding debian:emSign_Root_CA_-_G1.pem +Adding debian:SZAFIR_ROOT_CA2.pem +Adding debian:emSign_ECC_Root_CA_-_C3.pem +Adding debian:GTS_Root_R3.pem +Adding debian:AffirmTrust_Networking.pem Adding debian:Go_Daddy_Class_2_CA.pem -Adding debian:DigiCert_Trusted_Root_G4.pem +Adding debian:Cybertrust_Global_Root.pem +Adding debian:DigiCert_Assured_ID_Root_CA.pem +Adding debian:Starfield_Class_2_CA.pem +Adding debian:Microsoft_RSA_Root_Certificate_Authority_2017.pem +Adding debian:DigiCert_Assured_ID_Root_G2.pem +Adding debian:SecureTrust_CA.pem +Adding debian:GlobalSign_Root_CA_-_R3.pem +Adding debian:XRamp_Global_CA_Root.pem +Adding debian:DigiCert_Global_Root_CA.pem +Adding debian:Certigna_Root_CA.pem +Adding debian:GeoTrust_Primary_Certification_Authority_-_G2.pem +Adding debian:GTS_Root_R2.pem +Adding debian:Starfield_Services_Root_Certificate_Authority_-_G2.pem +Adding debian:GlobalSign_ECC_Root_CA_-_R4.pem +Adding debian:Buypass_Class_2_Root_CA.pem Adding debian:Certum_Trusted_Network_CA_2.pem +Adding debian:Entrust_Root_Certification_Authority.pem +Adding debian:Izenpe.com.pem +Adding debian:certSIGN_ROOT_CA.pem +Adding debian:Trustwave_Global_Certification_Authority.pem +Adding debian:DigiCert_Assured_ID_Root_G3.pem +Adding debian:TrustCor_RootCert_CA-2.pem +Adding debian:CFCA_EV_ROOT.pem +Adding debian:Amazon_Root_CA_4.pem +Adding debian:Baltimore_CyberTrust_Root.pem Adding debian:TUBITAK_Kamu_SM_SSL_Kok_Sertifikasi_-_Surum_1.pem Adding debian:UCA_Extended_Validation_Root.pem +Adding debian:USERTrust_RSA_Certification_Authority.pem +Adding debian:Amazon_Root_CA_1.pem +Adding debian:Atos_TrustedRoot_2011.pem +Adding debian:GDCA_TrustAUTH_R5_ROOT.pem +Adding debian:Hongkong_Post_Root_CA_1.pem +Adding debian:QuoVadis_Root_CA.pem +Adding debian:Go_Daddy_Root_Certificate_Authority_-_G2.pem +Adding debian:AffirmTrust_Commercial.pem +Adding debian:IdenTrust_Public_Sector_Root_CA_1.pem +Adding debian:Microsec_e-Szigno_Root_CA_2009.pem +Adding debian:Hongkong_Post_Root_CA_3.pem +Adding debian:CA_Disig_Root_R2.pem +Adding debian:Amazon_Root_CA_3.pem +Adding debian:DigiCert_Global_Root_G2.pem +Adding debian:SSL.com_EV_Root_Certification_Authority_ECC.pem +Adding debian:QuoVadis_Root_CA_3_G3.pem +Adding debian:DST_Root_CA_X3.pem +Adding debian:Microsoft_ECC_Root_Certificate_Authority_2017.pem Adding debian:emSign_Root_CA_-_C1.pem +Adding debian:OISTE_WISeKey_Global_Root_GB_CA.pem +Adding debian:Chambers_of_Commerce_Root_-_2008.pem +Adding debian:OISTE_WISeKey_Global_Root_GC_CA.pem +Adding debian:SecureSign_RootCA11.pem +Adding debian:GlobalSign_Root_CA_-_R6.pem +Adding debian:VeriSign_Universal_Root_Certification_Authority.pem +Adding debian:Trustwave_Global_ECC_P256_Certification_Authority.pem +Adding debian:DigiCert_Global_Root_G3.pem +Adding debian:QuoVadis_Root_CA_1_G3.pem +Adding debian:Comodo_AAA_Services_root.pem +Adding debian:Entrust.net_Premium_2048_Secure_Server_CA.pem Adding debian:e-Szigno_Root_CA_2017.pem -Adding debian:E-Tugra_Certification_Authority.pem -Adding debian:Security_Communication_Root_CA.pem -Adding debian:COMODO_ECC_Certification_Authority.pem -Adding debian:Trustwave_Global_ECC_P384_Certification_Authority.pem +Adding debian:GlobalSign_ECC_Root_CA_-_R5.pem +Adding debian:TeliaSonera_Root_CA_v1.pem +Adding debian:SwissSign_Silver_CA_-_G2.pem +Adding debian:SSL.com_EV_Root_Certification_Authority_RSA_R2.pem +Adding debian:D-TRUST_Root_Class_3_CA_2_2009.pem +Adding debian:Staat_der_Nederlanden_Root_CA_-_G3.pem +Adding debian:Staat_der_Nederlanden_EV_Root_CA.pem done. Processing triggers for libc-bin (2.31-13+deb11u6) ... Processing triggers for ca-certificates (20210119) ... @@ -1212,7 +1243,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/cp2k-8.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../cp2k_8.1-9_source.changes +I: user script /srv/workspace/pbuilder/71933/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for bullseye +I: user script /srv/workspace/pbuilder/71933/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/cp2k-8.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../cp2k_8.1-9_source.changes dpkg-buildpackage: info: source package cp2k dpkg-buildpackage: info: source version 8.1-9 dpkg-buildpackage: info: source distribution unstable @@ -1238,9 +1273,9 @@ Makefile:369: target 'doxifyclean' does not exist rm -rf /build/reproducible-path/cp2k-8.1/obj/doxified Makefile:318: target 'testclean' does not exist -rm -rf /build/reproducible-path/cp2k-8.1/regtesting/Linux-i686-gfortran/psmp/TEST-* +rm -rf /build/reproducible-path/cp2k-8.1/regtesting/Linux-x86_64-gfortran/psmp/TEST-* Makefile:322: update target 'testrealclean' due to: testclean -rm -rf /build/reproducible-path/cp2k-8.1/regtesting/Linux-i686-gfortran/psmp/LAST-* +rm -rf /build/reproducible-path/cp2k-8.1/regtesting/Linux-x86_64-gfortran/psmp/LAST-* Makefile:329: update target 'distclean' due to: precommitclean fprettyclean doxifyclean testrealclean rm -rf /build/reproducible-path/cp2k-8.1/exe /build/reproducible-path/cp2k-8.1/obj /build/reproducible-path/cp2k-8.1/lib /build/reproducible-path/cp2k-8.1/regtesting make[2]: Leaving directory '/build/reproducible-path/cp2k-8.1' @@ -1248,7 +1283,7 @@ rm -f arch/Linux-`uname -m`-gfortran.* rm -rf LAST* TEST* dh_auto_clean - make -j8 distclean + make -j15 distclean make[2]: Entering directory '/build/reproducible-path/cp2k-8.1' Discovering programs ... Makefile:408: target 'precommitclean' does not exist @@ -1286,38 +1321,38 @@ /build/reproducible-path/cp2k-8.1/Makefile:126: target 'psmp' does not exist /usr/bin/make --no-print-directory -f /build/reproducible-path/cp2k-8.1/Makefile all ORIG_TARGET="" VERSION="" ONEVERSION=psmp /build/reproducible-path/cp2k-8.1/Makefile:169: target 'dirs' does not exist -mkdir -p /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp -mkdir -p /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts -mkdir -p /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp -mkdir -p /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts -mkdir -p /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran -mkdir -p /build/reproducible-path/cp2k-8.1/regtesting/Linux-i686-gfortran/psmp -/build/reproducible-path/cp2k-8.1/Makefile:448: update target 'makedep' due to: /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential.F /build/reproducible-path/cp2k-8.1/src/stm_images.F /build/reproducible-path/cp2k-8.1/src/sap_kind_types.F /build/reproducible-path/cp2k-8.1/src/rel_control_types.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_types.F /build/reproducible-path/cp2k-8.1/src/negf_integr_utils.F /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F /build/reproducible-path/cp2k-8.1/src/atoms_input.F /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_halo_types.F /build/reproducible-path/cp2k-8.1/src/qs_linres_polar_utils.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_create.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.F /build/reproducible-path/cp2k-8.1/src/pao_main.F /build/reproducible-path/cp2k-8.1/src/embed_main.F /build/reproducible-path/cp2k-8.1/src/mscfg_methods.F /build/reproducible-path/cp2k-8.1/src/pao_methods.F /build/reproducible-path/cp2k-8.1/src/qs_fb_distribution_methods.F /build/reproducible-path/cp2k-8.1/src/qs_force.F /build/reproducible-path/cp2k-8.1/src/mp2.F /build/reproducible-path/cp2k-8.1/src/mao_methods.F /build/reproducible-path/cp2k-8.1/src/manybody_potential.F /build/reproducible-path/cp2k-8.1/src/atom_grb.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_atom.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_dft.F /build/reproducible-path/cp2k-8.1/src/atom_pseudo.F /build/reproducible-path/cp2k-8.1/src/xc_write_output.F /build/reproducible-path/cp2k-8.1/src/paw_proj_set_types.F /build/reproducible-path/cp2k-8.1/src/optimize_basis_types.F /build/reproducible-path/cp2k-8.1/src/atom.F /build/reproducible-path/cp2k-8.1/src/qs_dispersion_types.F /build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F /build/reproducible-path/cp2k-8.1/src/lri_ks_methods.F /build/reproducible-path/cp2k-8.1/src/qs_scf.F /build/reproducible-path/cp2k-8.1/src/qs_wf_history_methods.F /build/reproducible-path/cp2k-8.1/src/qs_scf_post_scf.F /build/reproducible-path/cp2k-8.1/src/force_env_methods.F /build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F /build/reproducible-path/cp2k-8.1/src/qs_energy.F /build/reproducible-path/cp2k-8.1/src/pao_linpot_full.F /build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_external.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_mp2.F /build/reproducible-path/cp2k-8.1/src/qs_cdft_opt_types.F /build/reproducible-path/cp2k-8.1/src/optimize_input.F /build/reproducible-path/cp2k-8.1/src/ipi_driver.F /build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F /build/reproducible-path/cp2k-8.1/src/xc/xc_tfw.F /build/reproducible-path/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F /build/reproducible-path/cp2k-8.1/src/xc/xc_functionals_utilities.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/xc/xc_thomas_fermi.F /build/reproducible-path/cp2k-8.1/src/xc/xc_hcth.F /build/reproducible-path/cp2k-8.1/src/xc/xc_derivatives.F /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_types.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_set_types.F /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F /build/reproducible-path/cp2k-8.1/src/xc/xc_input_constants.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xwpbe.F /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_set_types.F /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew86.F /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_desc.F /build/reproducible-path/cp2k-8.1/src/xc/xc_ke_gga.F /build/reproducible-path/cp2k-8.1/src/xc/xc_exchange_gga.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/reproducible-path/cp2k-8.1/src/xc/xc_sr_lda.F /build/reproducible-path/cp2k-8.1/src/xc/xc_atom.F /build/reproducible-path/cp2k-8.1/src/xc/xc_tpss.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88.F /build/reproducible-path/cp2k-8.1/src/xc/xc_optx.F /build/reproducible-path/cp2k-8.1/src/xc/xc_b97.F /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_cflags_types.F /build/reproducible-path/cp2k-8.1/src/xc/xc_cs1.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xalpha.F /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc_wrap.F /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc.F /build/reproducible-path/cp2k-8.1/src/xc/xc.F /build/reproducible-path/cp2k-8.1/src/xc/xc_pade.F /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_types.F /build/reproducible-path/cp2k-8.1/src/gle_system_types.F /build/reproducible-path/cp2k-8.1/src/mp2_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/src/ec_efield_local.F /build/reproducible-path/cp2k-8.1/src/integration_grid_types.F /build/reproducible-path/cp2k-8.1/src/mode_selective.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_mixed.F /build/reproducible-path/cp2k-8.1/src/optimize_basis_utils.F /build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F /build/reproducible-path/cp2k-8.1/src/mao_basis.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F /build/reproducible-path/cp2k-8.1/src/restraint.F /build/reproducible-path/cp2k-8.1/src/wannier90.F /build/reproducible-path/cp2k-8.1/src/kpoint_io.F /build/reproducible-path/cp2k-8.1/src/qs_tensors.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_types.F /build/reproducible-path/cp2k-8.1/src/input/input_parsing.F /build/reproducible-path/cp2k-8.1/src/input/input_enumeration_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_output_handling.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_buffer_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_methods.F /build/reproducible-path/cp2k-8.1/src/input/cp_linked_list_input.F /build/reproducible-path/cp2k-8.1/src/input/input_section_types.F /build/reproducible-path/cp2k-8.1/src/input/input_val_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_methods.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_status_types.F /build/reproducible-path/cp2k-8.1/src/input/input_keyword_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_methods.F /build/reproducible-path/cp2k-8.1/src/qs_energy_utils.F /build/reproducible-path/cp2k-8.1/src/pao_types.F /build/reproducible-path/cp2k-8.1/src/hfx_ri.F /build/reproducible-path/cp2k-8.1/src/qs_external_density.F /build/reproducible-path/cp2k-8.1/src/mao_optimizer.F /build/reproducible-path/cp2k-8.1/src/fist_neighbor_lists.F /build/reproducible-path/cp2k-8.1/src/common/memory_utilities.F /build/reproducible-path/cp2k-8.1/src/common/kahan_sum.F /build/reproducible-path/cp2k-8.1/src/common/cp_array_utils.F /build/reproducible-path/cp2k-8.1/src/common/d3_poly.F /build/reproducible-path/cp2k-8.1/src/common/structure_factor_types.F /build/reproducible-path/cp2k-8.1/src/common/cp_result_types.F /build/reproducible-path/cp2k-8.1/src/common/cp_units.F /build/reproducible-path/cp2k-8.1/src/common/mathconstants.F /build/reproducible-path/cp2k-8.1/src/common/spherical_harmonics.F /build/reproducible-path/cp2k-8.1/src/common/cp_para_types.F /build/reproducible-path/cp2k-8.1/src/common/timings_types.F /build/reproducible-path/cp2k-8.1/src/common/memory_utilities_unittest.F /build/reproducible-path/cp2k-8.1/src/common/lapack.F /build/reproducible-path/cp2k-8.1/src/common/whittaker.F /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F /build/reproducible-path/cp2k-8.1/src/common/timings_report.F /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types_unittest.F /build/reproducible-path/cp2k-8.1/src/common/cp_files.F /build/reproducible-path/cp2k-8.1/src/common/powell.F /build/reproducible-path/cp2k-8.1/src/common/util.F /build/reproducible-path/cp2k-8.1/src/common/list_routinereport.F /build/reproducible-path/cp2k-8.1/src/common/cp_result_methods.F /build/reproducible-path/cp2k-8.1/src/common/cg_test.F /build/reproducible-path/cp2k-8.1/src/common/t_c_g0.F /build/reproducible-path/cp2k-8.1/src/common/cp_iter_types.F /build/reproducible-path/cp2k-8.1/src/common/cp_error_handling.F /build/reproducible-path/cp2k-8.1/src/common/t_sh_p_s_c.F /build/reproducible-path/cp2k-8.1/src/common/mathlib.F /build/reproducible-path/cp2k-8.1/src/common/timings_base_type.F /build/reproducible-path/cp2k-8.1/src/common/bibliography.F /build/reproducible-path/cp2k-8.1/src/common/list_routinestat.F /build/reproducible-path/cp2k-8.1/src/common/routine_map.F /build/reproducible-path/cp2k-8.1/src/common/lebedev.F /build/reproducible-path/cp2k-8.1/src/common/cp_para_env.F /build/reproducible-path/cp2k-8.1/src/common/cp_log_handling.F /build/reproducible-path/cp2k-8.1/src/common/bessel_lib.F /build/reproducible-path/cp2k-8.1/src/common/periodic_table.F /build/reproducible-path/cp2k-8.1/src/common/list_callstackentry.F /build/reproducible-path/cp2k-8.1/src/common/splines.F /build/reproducible-path/cp2k-8.1/src/common/distribution_1d_types.F /build/reproducible-path/cp2k-8.1/src/common/eigenvalueproblems.F /build/reproducible-path/cp2k-8.1/src/common/structure_factors.F /build/reproducible-path/cp2k-8.1/src/common/callgraph.F /build/reproducible-path/cp2k-8.1/src/common/timings.F /build/reproducible-path/cp2k-8.1/src/common/cp_min_heap.F /build/reproducible-path/cp2k-8.1/src/common/fparser.F /build/reproducible-path/cp2k-8.1/src/common/print_messages.F /build/reproducible-path/cp2k-8.1/src/common/cuda_profiling.F /build/reproducible-path/cp2k-8.1/src/common/list_timerenv.F /build/reproducible-path/cp2k-8.1/src/common/linear_systems.F /build/reproducible-path/cp2k-8.1/src/common/physcon.F /build/reproducible-path/cp2k-8.1/src/common/string_utilities.F /build/reproducible-path/cp2k-8.1/src/common/reference_manager.F /build/reproducible-path/cp2k-8.1/src/common/cp_array_sort.F /build/reproducible-path/cp2k-8.1/src/common/list.F /build/reproducible-path/cp2k-8.1/src/common/gamma.F /build/reproducible-path/cp2k-8.1/src/common/string_table.F /build/reproducible-path/cp2k-8.1/src/qs_collocate_density.F /build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F /build/reproducible-path/cp2k-8.1/src/pao_io.F /build/reproducible-path/cp2k-8.1/src/mixed_cdft_types.F /build/reproducible-path/cp2k-8.1/src/qs_subsys_methods.F /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_utils.F /build/reproducible-path/cp2k-8.1/src/fist_force.F /build/reproducible-path/cp2k-8.1/src/shg_integrals_test.F /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_init.F /build/reproducible-path/cp2k-8.1/src/ls_matrix_exp.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_qs.F /build/reproducible-path/cp2k-8.1/src/maxwell_solver_interface.F /build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F /build/reproducible-path/cp2k-8.1/src/graphcon.F /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_methods.F /build/reproducible-path/cp2k-8.1/src/qs_fb_trial_fns_types.F /build/reproducible-path/cp2k-8.1/src/global_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_loc.F /build/reproducible-path/cp2k-8.1/src/rpa_gw.F /build/reproducible-path/cp2k-8.1/src/pexsi_interface.F /build/reproducible-path/cp2k-8.1/src/qs_linres_types.F /build/reproducible-path/cp2k-8.1/src/qs_gcp_utils.F /build/reproducible-path/cp2k-8.1/src/efield_utils.F /build/reproducible-path/cp2k-8.1/src/constraint_clv.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_types.F /build/reproducible-path/cp2k-8.1/src/mp2_ri_libint.F /build/reproducible-path/cp2k-8.1/src/pao_param_linpot.F /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_diag.F /build/reproducible-path/cp2k-8.1/src/pao_ml_gaussprocess.F /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F /build/reproducible-path/cp2k-8.1/src/cp_gemm_interface.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_gaussian.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_types.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_integrate.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_util.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_error_control.F /build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F /build/reproducible-path/cp2k-8.1/src/rt_propagation_types.F /build/reproducible-path/cp2k-8.1/src/qs_moments.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis_types.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_build.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_types.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_file_io.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_messages.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_stati.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_calculations.F /build/reproducible-path/cp2k-8.1/src/tmc/input_cp2k_tmc.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_types.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_worker.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_types.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_setup.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_master.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_cancelation.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_acceptance.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_dot_tree.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_moves.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_utils.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_search.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_references.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_handle.F /build/reproducible-path/cp2k-8.1/src/atom_operators.F /build/reproducible-path/cp2k-8.1/src/qs_neighbor_lists.F /build/reproducible-path/cp2k-8.1/src/qs_local_rho_types.F /build/reproducible-path/cp2k-8.1/src/nnp_model.F /build/reproducible-path/cp2k-8.1/src/force_env_types.F /build/reproducible-path/cp2k-8.1/src/subcell_types.F /build/reproducible-path/cp2k-8.1/src/rtp_admm_methods.F /build/reproducible-path/cp2k-8.1/src/environment.F /build/reproducible-path/cp2k-8.1/src/qs_scf_output.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F /build/reproducible-path/cp2k-8.1/src/qs_condnum.F /build/reproducible-path/cp2k-8.1/src/outer_scf_control_types.F /build/reproducible-path/cp2k-8.1/src/force_fields_util.F /build/reproducible-path/cp2k-8.1/src/cp_control_utils.F /build/reproducible-path/cp2k-8.1/src/kpoint_types.F /build/reproducible-path/cp2k-8.1/src/input_optimize_basis.F /build/reproducible-path/cp2k-8.1/src/commutator_rpnl.F /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_product.F /build/reproducible-path/cp2k-8.1/src/pair_potential.F /build/reproducible-path/cp2k-8.1/src/grid/grid_api.F /build/reproducible-path/cp2k-8.1/src/qs_linres_atom_current.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_ec.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_properties_dft.F /build/reproducible-path/cp2k-8.1/src/splines_types.F /build/reproducible-path/cp2k-8.1/src/library_tests.F /build/reproducible-path/cp2k-8.1/src/admm_utils.F /build/reproducible-path/cp2k-8.1/src/pw_poisson_read_input.F /build/reproducible-path/cp2k-8.1/src/manybody_tersoff.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_read.F /build/reproducible-path/cp2k-8.1/src/taper_types.F /build/reproducible-path/cp2k-8.1/src/admm_dm_methods.F /build/reproducible-path/cp2k-8.1/src/voronoi_interface.F /build/reproducible-path/cp2k-8.1/src/qs_external_potential.F /build/reproducible-path/cp2k-8.1/src/qs_ks_methods.F /build/reproducible-path/cp2k-8.1/src/qmmm_se_energy.F /build/reproducible-path/cp2k-8.1/src/ewald_methods_tb.F /build/reproducible-path/cp2k-8.1/src/qs_period_efield_types.F /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_exchange.F /build/reproducible-path/cp2k-8.1/src/free_energy_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_eip.F /build/reproducible-path/cp2k-8.1/src/qs_harmonics_atom.F /build/reproducible-path/cp2k-8.1/src/atom_xc.F /build/reproducible-path/cp2k-8.1/src/qs_cdft_utils.F /build/reproducible-path/cp2k-8.1/src/commutator_rkinetic.F /build/reproducible-path/cp2k-8.1/src/topology_xtl.F /build/reproducible-path/cp2k-8.1/src/fp_types.F /build/reproducible-path/cp2k-8.1/src/manybody_quip.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_free_energy.F /build/reproducible-path/cp2k-8.1/src/rpa_util.F /build/reproducible-path/cp2k-8.1/src/force_field_types.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_operators.F /build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F /build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F /build/reproducible-path/cp2k-8.1/src/xtb_ehess.F /build/reproducible-path/cp2k-8.1/src/pw/pw_grids.F /build/reproducible-path/cp2k-8.1/src/pw/dielectric_types.F /build/reproducible-path/cp2k-8.1/src/pw/lazy.F /build/reproducible-path/cp2k-8.1/src/pw/pw_methods.F /build/reproducible-path/cp2k-8.1/src/pw/fft/fftw3_lib.F /build/reproducible-path/cp2k-8.1/src/pw/fft/fftsg_lib.F /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_plan.F /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_lib.F /build/reproducible-path/cp2k-8.1/src/pw/fft/mltfftsg_tools.F /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_kinds.F /build/reproducible-path/cp2k-8.1/src/pw/cube_utils.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F /build/reproducible-path/cp2k-8.1/src/pw/rs_methods.F /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_types.F /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_types.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_types.F /build/reproducible-path/cp2k-8.1/src/pw/pw_fpga.F /build/reproducible-path/cp2k-8.1/src/pw/dielectric_methods.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_util.F /build/reproducible-path/cp2k-8.1/src/pw/fast.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_base.F /build/reproducible-path/cp2k-8.1/src/pw/pw_cuda.F /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_info.F /build/reproducible-path/cp2k-8.1/src/pw/mt_util.F /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_methods.F /build/reproducible-path/cp2k-8.1/src/pw/dgs.F /build/reproducible-path/cp2k-8.1/src/pw/dct.F /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_methods.F /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_methods.F /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_types.F /build/reproducible-path/cp2k-8.1/src/pw/dg_types.F /build/reproducible-path/cp2k-8.1/src/pw/pw_spline_utils.F /build/reproducible-path/cp2k-8.1/src/pw/fft_tools.F /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_cube.F /build/reproducible-path/cp2k-8.1/src/pw/dg_rho0_types.F /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_types.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_methods.F /build/reproducible-path/cp2k-8.1/src/pw/cp_linked_list_pw.F /build/reproducible-path/cp2k-8.1/src/pw/pw_pool_types.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_kernel.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_fft3d.F /build/reproducible-path/cp2k-8.1/src/pw/pw_types.F /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_types.F /build/reproducible-path/cp2k-8.1/src/qs_rho_methods.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_eigensolver.F /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_energy.F /build/reproducible-path/cp2k-8.1/src/ec_environment.F /build/reproducible-path/cp2k-8.1/src/ri_environment_methods.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_utils.F /build/reproducible-path/cp2k-8.1/src/topology_amber.F /build/reproducible-path/cp2k-8.1/src/lri_forces.F /build/reproducible-path/cp2k-8.1/src/qs_loc_types.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_types.F /build/reproducible-path/cp2k-8.1/src/libint_wrapper.F /build/reproducible-path/cp2k-8.1/src/qs_initial_guess.F /build/reproducible-path/cp2k-8.1/src/preconditioner.F /build/reproducible-path/cp2k-8.1/src/fist_pol_scf.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_atprop.F /build/reproducible-path/cp2k-8.1/src/cp2k_info.F /build/reproducible-path/cp2k-8.1/src/kpoint_coulomb_2c.F /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_types.F /build/reproducible-path/cp2k-8.1/src/embed_environment.F /build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F /build/reproducible-path/cp2k-8.1/src/qs_dispersion_utils.F /build/reproducible-path/cp2k-8.1/src/manybody_siepmann.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_curvy.F /build/reproducible-path/cp2k-8.1/src/qs_mom_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_resp.F /build/reproducible-path/cp2k-8.1/src/motion_utils.F /build/reproducible-path/cp2k-8.1/src/hfx_energy_potential.F /build/reproducible-path/cp2k-8.1/src/qmmm_topology_util.F /build/reproducible-path/cp2k-8.1/src/input_restart_rng.F /build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F /build/reproducible-path/cp2k-8.1/src/colvar_utils.F /build/reproducible-path/cp2k-8.1/src/qmmm_per_elpot.F /build/reproducible-path/cp2k-8.1/src/mp2_types.F /build/reproducible-path/cp2k-8.1/src/atom_fit.F /build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F /build/reproducible-path/cp2k-8.1/src/qmmm_util.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_check.F /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_output.F /build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/src/pair_potential_types.F /build/reproducible-path/cp2k-8.1/src/wannier_states.F /build/reproducible-path/cp2k-8.1/src/xas_env_types.F /build/reproducible-path/cp2k-8.1/src/cp2k_debug.F /build/reproducible-path/cp2k-8.1/src/qs_linres_op.F /build/reproducible-path/cp2k-8.1/src/localization_tb.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_hfx.F /build/reproducible-path/cp2k-8.1/src/negf_alloc_types.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_arrays.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_densities.F /build/reproducible-path/cp2k-8.1/src/negf_atom_map.F /build/reproducible-path/cp2k-8.1/src/qs_scf_post_tb.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_motion_print.F /build/reproducible-path/cp2k-8.1/src/rpa_im_time.F /build/reproducible-path/cp2k-8.1/src/replica_types.F /build/reproducible-path/cp2k-8.1/src/se_core_matrix.F /build/reproducible-path/cp2k-8.1/src/hfx_derivatives.F /build/reproducible-path/cp2k-8.1/src/qmmmx_types.F /build/reproducible-path/cp2k-8.1/src/qmmm_types_low.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_mincrawl.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_minhop.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm_input.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm_message.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm_mpi.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_worker.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm_worker.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_input.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_master.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_history.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm_master.F /build/reproducible-path/cp2k-8.1/src/qs_p_env_methods.F /build/reproducible-path/cp2k-8.1/src/qs_core_energies.F /build/reproducible-path/cp2k-8.1/src/qs_fb_matrix_data_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_restarts_util.F /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_methods.F /build/reproducible-path/cp2k-8.1/src/debug_os_integrals.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_types.F /build/reproducible-path/cp2k-8.1/src/qs_scf_loop_utils.F /build/reproducible-path/cp2k-8.1/src/topology_cif.F /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cholesky.F /build/reproducible-path/cp2k-8.1/src/surface_dipole.F /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_methods.F /build/reproducible-path/cp2k-8.1/src/qs_update_s_mstruct.F /build/reproducible-path/cp2k-8.1/src/submatrix_types.F /build/reproducible-path/cp2k-8.1/src/qs_rho_types.F /build/reproducible-path/cp2k-8.1/src/qs_energy_window.F /build/reproducible-path/cp2k-8.1/src/kg_correction.F /build/reproducible-path/cp2k-8.1/src/manybody_eam.F /build/reproducible-path/cp2k-8.1/src/pao_param_gth.F /build/reproducible-path/cp2k-8.1/src/distribution_methods.F /build/reproducible-path/cp2k-8.1/src/pilaenv_hack.F /build/reproducible-path/cp2k-8.1/src/optbas_fenv_manipulation.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_field.F /build/reproducible-path/cp2k-8.1/src/topology_input.F /build/reproducible-path/cp2k-8.1/src/xas_methods.F /build/reproducible-path/cp2k-8.1/src/atom_utils.F /build/reproducible-path/cp2k-8.1/src/qs_scf_initialization.F /build/reproducible-path/cp2k-8.1/src/negf_control_types.F /build/reproducible-path/cp2k-8.1/src/qs_fb_hash_table_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_thermostats.F /build/reproducible-path/cp2k-8.1/src/manybody_gal.F /build/reproducible-path/cp2k-8.1/src/ct_types.F /build/reproducible-path/cp2k-8.1/src/ewald_spline_util.F /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cp2k_link.F /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_control.F /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_utils.F /build/reproducible-path/cp2k-8.1/src/qs_spin_orbit.F /build/reproducible-path/cp2k-8.1/src/qs_dftb3_methods.F /build/reproducible-path/cp2k-8.1/src/hfx_compression_methods.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_parameters.F /build/reproducible-path/cp2k-8.1/src/constraint.F /build/reproducible-path/cp2k-8.1/src/transport.F /build/reproducible-path/cp2k-8.1/src/splines_methods.F /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_epr_common_utils.F /build/reproducible-path/cp2k-8.1/src/group_dist_types.F /build/reproducible-path/cp2k-8.1/src/qs_cdft_methods.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_poisson.F /build/reproducible-path/cp2k-8.1/src/pme.F /build/reproducible-path/cp2k-8.1/src/almo_scf_env_methods.F /build/reproducible-path/cp2k-8.1/src/qs_grid_atom.F /build/reproducible-path/cp2k-8.1/src/qmmm_tb_coulomb.F /build/reproducible-path/cp2k-8.1/src/almo_scf_lbfgs_types.F /build/reproducible-path/cp2k-8.1/src/minbas_methods.F /build/reproducible-path/cp2k-8.1/src/qs_fb_input.F /build/reproducible-path/cp2k-8.1/src/qs_charge_mixing.F /build/reproducible-path/cp2k-8.1/src/qmmm_force.F /build/reproducible-path/cp2k-8.1/src/hfx_libint_interface.F /build/reproducible-path/cp2k-8.1/src/topology_gromos.F /build/reproducible-path/cp2k-8.1/src/ewald_environment_types.F /build/reproducible-path/cp2k-8.1/src/qs_vxc.F /build/reproducible-path/cp2k-8.1/src/admm_types.F /build/reproducible-path/cp2k-8.1/src/input_constants.F /build/reproducible-path/cp2k-8.1/src/topology_cp2k.F /build/reproducible-path/cp2k-8.1/src/nnp_environment.F /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_utils.F /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph.F /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_methods.F /build/reproducible-path/cp2k-8.1/src/negf_matrix_utils.F /build/reproducible-path/cp2k-8.1/src/population_analyses.F /build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F /build/reproducible-path/cp2k-8.1/src/mp2_gpw.F /build/reproducible-path/cp2k-8.1/src/qs_linres_current.F /build/reproducible-path/cp2k-8.1/src/atom_admm_methods.F /build/reproducible-path/cp2k-8.1/src/xas_control.F /build/reproducible-path/cp2k-8.1/src/qs_matrix_pools.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_negf.F /build/reproducible-path/cp2k-8.1/src/et_coupling_types.F /build/reproducible-path/cp2k-8.1/src/qs_integral_utils.F /build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F /build/reproducible-path/cp2k-8.1/src/extended_system_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_binary_restarts.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_utils.F /build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F /build/reproducible-path/cp2k-8.1/src/libint_2c_3c.F /build/reproducible-path/cp2k-8.1/src/ec_env_types.F /build/reproducible-path/cp2k-8.1/src/xtb_parameters.F /build/reproducible-path/cp2k-8.1/src/rpa_gw_im_time_util.F /build/reproducible-path/cp2k-8.1/src/qs_linres_module.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_constraints.F /build/reproducible-path/cp2k-8.1/src/qmmm_init.F /build/reproducible-path/cp2k-8.1/src/qmmmx_util.F /build/reproducible-path/cp2k-8.1/src/negf_green_methods.F /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_dbg.F /build/reproducible-path/cp2k-8.1/src/molden_utils.F /build/reproducible-path/cp2k-8.1/src/qs_ot.F /build/reproducible-path/cp2k-8.1/src/mixed_environment_types.F /build/reproducible-path/cp2k-8.1/src/exclusion_types.F /build/reproducible-path/cp2k-8.1/src/qs_efield_local.F /build/reproducible-path/cp2k-8.1/src/atomic_charges.F /build/reproducible-path/cp2k-8.1/src/negf_methods.F /build/reproducible-path/cp2k-8.1/src/input_restart_force_eval.F /build/reproducible-path/cp2k-8.1/src/qs_basis_gradient.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_integrals.F /build/reproducible-path/cp2k-8.1/src/core_ae.F /build/reproducible-path/cp2k-8.1/src/mscfg_types.F /build/reproducible-path/cp2k-8.1/src/atom_kind_orbitals.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_distribution.F /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp.F /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F /build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k15.F /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k53.F /build/reproducible-path/cp2k-8.1/src/cryssym.F /build/reproducible-path/cp2k-8.1/src/al_system_types.F /build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F /build/reproducible-path/cp2k-8.1/src/cp_ddapc_types.F /build/reproducible-path/cp2k-8.1/src/matrix_exp.F /build/reproducible-path/cp2k-8.1/src/optbas_opt_utils.F /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad_util.F /build/reproducible-path/cp2k-8.1/src/cp_subsys_methods.F /build/reproducible-path/cp2k-8.1/src/se_core_core.F /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_nablavks.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_properties.F /build/reproducible-path/cp2k-8.1/src/qs_cdft_types.F /build/reproducible-path/cp2k-8.1/src/ewald_pw_types.F /build/reproducible-path/cp2k-8.1/src/input_optimize_input.F /build/reproducible-path/cp2k-8.1/src/xc_pot_saop.F /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_types.F /build/reproducible-path/cp2k-8.1/src/optimize_dmfet_potential.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_module.F /build/reproducible-path/cp2k-8.1/src/wannier_states_types.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_methods.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_integrals.F /build/reproducible-path/cp2k-8.1/src/hfx_pw_methods.F /build/reproducible-path/cp2k-8.1/src/qs_epr_hyp.F /build/reproducible-path/cp2k-8.1/src/pair_potential_coulomb.F /build/reproducible-path/cp2k-8.1/src/qs_kinetic.F /build/reproducible-path/cp2k-8.1/src/qs_overlap.F /build/reproducible-path/cp2k-8.1/src/qs_subsys_types.F /build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_types.F /build/reproducible-path/cp2k-8.1/src/fp_methods.F /build/reproducible-path/cp2k-8.1/src/qs_cdft_scf_utils.F /build/reproducible-path/cp2k-8.1/src/rpa_main.F /build/reproducible-path/cp2k-8.1/src/cell_methods.F /build/reproducible-path/cp2k-8.1/src/mol_force.F /build/reproducible-path/cp2k-8.1/src/spme.F /build/reproducible-path/cp2k-8.1/src/nnp_force.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_rsgrid.F /build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_embed.F /build/reproducible-path/cp2k-8.1/src/qs_oce_types.F /build/reproducible-path/cp2k-8.1/src/topology_psf.F /build/reproducible-path/cp2k-8.1/src/lri_environment_types.F /build/reproducible-path/cp2k-8.1/src/pao_param.F /build/reproducible-path/cp2k-8.1/src/subsys/virial_types.F /build/reproducible-path/cp2k-8.1/src/subsys/molecule_list_types.F /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_types.F /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_types.F /build/reproducible-path/cp2k-8.1/src/subsys/shell_potential_types.F /build/reproducible-path/cp2k-8.1/src/subsys/multipole_types.F /build/reproducible-path/cp2k-8.1/src/subsys/particle_list_types.F /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_list_types.F /build/reproducible-path/cp2k-8.1/src/subsys/external_potential_types.F /build/reproducible-path/cp2k-8.1/src/subsys/cell_types.F /build/reproducible-path/cp2k-8.1/src/subsys/damping_dipole_types.F /build/reproducible-path/cp2k-8.1/src/subsys/cp_subsys_types.F /build/reproducible-path/cp2k-8.1/src/subsys/molecule_types.F /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_list_types.F /build/reproducible-path/cp2k-8.1/src/subsys/particle_types.F /build/reproducible-path/cp2k-8.1/src/subsys/force_field_kind_types.F /build/reproducible-path/cp2k-8.1/src/subsys/colvar_types.F /build/reproducible-path/cp2k-8.1/src/subsys/atprop_types.F /build/reproducible-path/cp2k-8.1/src/pao_param_exp.F /build/reproducible-path/cp2k-8.1/src/particle_methods.F /build/reproducible-path/cp2k-8.1/src/task_list_types.F /build/reproducible-path/cp2k-8.1/src/qs_ks_apply_restraints.F /build/reproducible-path/cp2k-8.1/src/constraint_fxd.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_matrices.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_kernel.F /build/reproducible-path/cp2k-8.1/src/mp2_ri_2c.F /build/reproducible-path/cp2k-8.1/src/et_coupling.F /build/reproducible-path/cp2k-8.1/src/fist_environment_types.F /build/reproducible-path/cp2k-8.1/src/energy_corrections.F /build/reproducible-path/cp2k-8.1/src/sirius_interface.F /build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F /build/reproducible-path/cp2k-8.1/src/pao_input.F /build/reproducible-path/cp2k-8.1/src/molsym.F /build/reproducible-path/cp2k-8.1/src/molecular_moments.F /build/reproducible-path/cp2k-8.1/src/colvar_methods.F /build/reproducible-path/cp2k-8.1/src/qmmm_pw_grid.F /build/reproducible-path/cp2k-8.1/src/qs_elf_methods.F /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_coulomb.F /build/reproducible-path/cp2k-8.1/src/qs_gcp_types.F /build/reproducible-path/cp2k-8.1/src/qs_ks_types.F /build/reproducible-path/cp2k-8.1/src/scf_control_types.F /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_shift.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_parameters.F /build/reproducible-path/cp2k-8.1/src/kg_environment_types.F /build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F /build/reproducible-path/cp2k-8.1/src/qmmm_ff_fist.F /build/reproducible-path/cp2k-8.1/src/transport_env_types.F /build/reproducible-path/cp2k-8.1/src/qmmmx_force.F /build/reproducible-path/cp2k-8.1/src/rpa_communication.F /build/reproducible-path/cp2k-8.1/src/qs_ks_atom.F /build/reproducible-path/cp2k-8.1/src/basis_set_output.F /build/reproducible-path/cp2k-8.1/src/hfx_helpers.F /build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F /build/reproducible-path/cp2k-8.1/src/core_ppl.F /build/reproducible-path/cp2k-8.1/src/qs_linres_current_utils.F /build/reproducible-path/cp2k-8.1/src/qs_fb_env_methods.F /build/reproducible-path/cp2k-8.1/src/qs_scf_lanczos.F /build/reproducible-path/cp2k-8.1/src/almo_scf_types.F /build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F /build/reproducible-path/cp2k-8.1/src/metadynamics_utils.F /build/reproducible-path/cp2k-8.1/src/admm_dm_types.F /build/reproducible-path/cp2k-8.1/src/eip_environment_types.F /build/reproducible-path/cp2k-8.1/src/pw_env_methods.F /build/reproducible-path/cp2k-8.1/src/se_fock_matrix.F /build/reproducible-path/cp2k-8.1/src/ct_methods.F /build/reproducible-path/cp2k-8.1/src/ewald_pw_methods.F /build/reproducible-path/cp2k-8.1/src/xtb_coulomb.F /build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F /build/reproducible-path/cp2k-8.1/src/admm_methods.F /build/reproducible-path/cp2k-8.1/src/atom_types.F /build/reproducible-path/cp2k-8.1/src/negf_subgroup_types.F /build/reproducible-path/cp2k-8.1/src/mp2_eri_gpw.F /build/reproducible-path/cp2k-8.1/src/qs_active_space_types.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_dispersion.F /build/reproducible-path/cp2k-8.1/src/topology_coordinate_util.F /build/reproducible-path/cp2k-8.1/src/optimize_basis.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_ownutils.F /build/reproducible-path/cp2k-8.1/src/atom_basis.F /build/reproducible-path/cp2k-8.1/src/qs_wannier90.F /build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F /build/reproducible-path/cp2k-8.1/src/mao_types.F /build/reproducible-path/cp2k-8.1/src/qs_scf_diagonalization.F /build/reproducible-path/cp2k-8.1/src/scine_utils.F /build/reproducible-path/cp2k-8.1/src/qmmmx_update.F /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F /build/reproducible-path/cp2k-8.1/src/force_env_utils.F /build/reproducible-path/cp2k-8.1/src/qs_band_structure.F /build/reproducible-path/cp2k-8.1/src/ewalds.F /build/reproducible-path/cp2k-8.1/src/qs_scf_wfn_mix.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_nnp.F /build/reproducible-path/cp2k-8.1/src/qs_wf_history_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_transport.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_eigensolver.F /build/reproducible-path/cp2k-8.1/src/cp_external_control.F /build/reproducible-path/cp2k-8.1/src/hfx_pair_list_methods.F /build/reproducible-path/cp2k-8.1/src/topology.F /build/reproducible-path/cp2k-8.1/src/preconditioner_apply.F /build/reproducible-path/cp2k-8.1/src/emd/rt_hfx_utils.F /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_utils.F /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_methods.F /build/reproducible-path/cp2k-8.1/src/emd/rt_propagator_init.F /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_output.F /build/reproducible-path/cp2k-8.1/src/emd/rt_make_propagators.F /build/reproducible-path/cp2k-8.1/src/emd/rt_delta_pulse.F /build/reproducible-path/cp2k-8.1/src/qs_rho0_types.F /build/reproducible-path/cp2k-8.1/src/hartree_local_types.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_methods.F /build/reproducible-path/cp2k-8.1/src/mp2_eri.F /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_operations.F /build/reproducible-path/cp2k-8.1/src/qs_mo_types.F /build/reproducible-path/cp2k-8.1/src/qs_local_properties.F /build/reproducible-path/cp2k-8.1/src/bse.F /build/reproducible-path/cp2k-8.1/src/topology_types.F /build/reproducible-path/cp2k-8.1/src/hfx_communication.F /build/reproducible-path/cp2k-8.1/src/cp_ddapc.F /build/reproducible-path/cp2k-8.1/src/fist_efield_types.F /build/reproducible-path/cp2k-8.1/src/qs_mom_methods.F /build/reproducible-path/cp2k-8.1/src/pwdft_environment_types.F /build/reproducible-path/cp2k-8.1/src/dkh_main.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_oneelectron.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_verfc.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_angmom.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_moments.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F /build/reproducible-path/cp2k-8.1/src/aobasis/sto_ng.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_debug.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_ppl.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_kinetic.F /build/reproducible-path/cp2k-8.1/src/aobasis/soft_basis_set.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_elec_field.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_derivatives.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_fermi_contact.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction_sphi.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_spin_orbit.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_aabb.F /build/reproducible-path/cp2k-8.1/src/aobasis/aux_basis_set.F /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_pointers.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3_debug.F /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_types.F /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_container_types.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_eri_debug.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb.F /build/reproducible-path/cp2k-8.1/src/aobasis/ao_util.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operator_ra2m.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb_test.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_os_rr.F /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_symbols.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operators_r12.F /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_transformation_matrices.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F /build/reproducible-path/cp2k-8.1/src/lri_integrals.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_subgroups.F /build/reproducible-path/cp2k-8.1/src/xas_restart.F /build/reproducible-path/cp2k-8.1/src/qs_ot_minimizer.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_colvar.F /build/reproducible-path/cp2k-8.1/src/qs_loc_methods.F /build/reproducible-path/cp2k-8.1/src/qs_block_davidson_types.F /build/reproducible-path/cp2k-8.1/src/qs_charges_types.F /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_data.F /build/reproducible-path/cp2k-8.1/src/domain_submatrix_methods.F /build/reproducible-path/cp2k-8.1/src/qmmm_se_forces.F /build/reproducible-path/cp2k-8.1/src/pao_param_fock.F /build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F /build/reproducible-path/cp2k-8.1/src/qs_gapw_densities.F /build/reproducible-path/cp2k-8.1/src/base/base_hooks.F /build/reproducible-path/cp2k-8.1/src/base/machine.F /build/reproducible-path/cp2k-8.1/src/base/kinds.F /build/reproducible-path/cp2k-8.1/src/base/machine_internal.F /build/reproducible-path/cp2k-8.1/src/start/cp2k_runs.F /build/reproducible-path/cp2k-8.1/src/start/cp2k.F /build/reproducible-path/cp2k-8.1/src/start/input_cp2k_motion.F /build/reproducible-path/cp2k-8.1/src/start/cp2k_shell.F /build/reproducible-path/cp2k-8.1/src/start/libcp2k.F /build/reproducible-path/cp2k-8.1/src/start/input_cp2k.F /build/reproducible-path/cp2k-8.1/src/qs_linres_issc_utils.F /build/reproducible-path/cp2k-8.1/src/lri_environment_init.F /build/reproducible-path/cp2k-8.1/src/cp_eri_mme_interface.F /build/reproducible-path/cp2k-8.1/src/motion/pint_staging.F /build/reproducible-path/cp2k-8.1/src/motion/neb_opt_utils.F /build/reproducible-path/cp2k-8.1/src/motion/mdctrl_methods.F /build/reproducible-path/cp2k-8.1/src/motion/helium_interactions.F /build/reproducible-path/cp2k-8.1/src/motion/rt_propagation.F /build/reproducible-path/cp2k-8.1/src/motion/neb_types.F /build/reproducible-path/cp2k-8.1/src/motion/pint_methods.F /build/reproducible-path/cp2k-8.1/src/motion/shell_opt.F /build/reproducible-path/cp2k-8.1/src/motion/md_run.F /build/reproducible-path/cp2k-8.1/src/motion/integrator_utils.F /build/reproducible-path/cp2k-8.1/src/motion/xyz2dcd.F /build/reproducible-path/cp2k-8.1/src/motion/md_environment_types.F /build/reproducible-path/cp2k-8.1/src/motion/pint_gle.F /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_utils.F /build/reproducible-path/cp2k-8.1/src/motion/neb_md_utils.F /build/reproducible-path/cp2k-8.1/src/motion/md_util.F /build/reproducible-path/cp2k-8.1/src/motion/wiener_process.F /build/reproducible-path/cp2k-8.1/src/motion/cg_utils.F /build/reproducible-path/cp2k-8.1/src/motion/neb_io.F /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_utils.F /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_types.F /build/reproducible-path/cp2k-8.1/src/motion/mc/tamc_run.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_misc.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_move_control.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_moves.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_types.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_run.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_environment_types.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ensembles.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_coordinates.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_control.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ge_moves.F /build/reproducible-path/cp2k-8.1/src/motion/reftraj_types.F /build/reproducible-path/cp2k-8.1/src/motion/neb_utils.F /build/reproducible-path/cp2k-8.1/src/motion/free_energy_methods.F /build/reproducible-path/cp2k-8.1/src/motion/pint_piglet.F /build/reproducible-path/cp2k-8.1/src/motion/cell_opt.F /build/reproducible-path/cp2k-8.1/src/motion/helium_methods.F /build/reproducible-path/cp2k-8.1/src/motion/helium_sampling.F /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_methods.F /build/reproducible-path/cp2k-8.1/src/motion/md_ener_types.F /build/reproducible-path/cp2k-8.1/src/motion/md_vel_utils.F /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.F /build/reproducible-path/cp2k-8.1/src/motion/glbopt_callback.F /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_types.F /build/reproducible-path/cp2k-8.1/src/motion/pint_transformations.F /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/reproducible-path/cp2k-8.1/src/motion/velocity_verlet_control.F /build/reproducible-path/cp2k-8.1/src/motion/dimer_types.F /build/reproducible-path/cp2k-8.1/src/motion/helium_worm.F /build/reproducible-path/cp2k-8.1/src/motion/pint_pile.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_mapping.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_types.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_init.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_utils.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_init.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_types.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_init.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_methods.F /build/reproducible-path/cp2k-8.1/src/motion/neb_methods.F /build/reproducible-path/cp2k-8.1/src/motion/pint_qtb.F /build/reproducible-path/cp2k-8.1/src/motion/md_energies.F /build/reproducible-path/cp2k-8.1/src/motion/helium_types.F /build/reproducible-path/cp2k-8.1/src/motion/integrator.F /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_restarts.F /build/reproducible-path/cp2k-8.1/src/motion/pint_types.F /build/reproducible-path/cp2k-8.1/src/motion/geo_opt.F /build/reproducible-path/cp2k-8.1/src/motion/dimer_utils.F /build/reproducible-path/cp2k-8.1/src/motion/pint_normalmode.F /build/reproducible-path/cp2k-8.1/src/motion/helium_common.F /build/reproducible-path/cp2k-8.1/src/motion/cg_optimizer.F /build/reproducible-path/cp2k-8.1/src/motion/pint_io.F /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_md.F /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_geo.F /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs.F /build/reproducible-path/cp2k-8.1/src/motion/gopt_param_types.F /build/reproducible-path/cp2k-8.1/src/motion/pint_public.F /build/reproducible-path/cp2k-8.1/src/motion/reftraj_util.F /build/reproducible-path/cp2k-8.1/src/motion/md_conserved_quantities.F /build/reproducible-path/cp2k-8.1/src/motion/vibrational_analysis.F /build/reproducible-path/cp2k-8.1/src/motion/dumpdcd.F /build/reproducible-path/cp2k-8.1/src/motion/helium_io.F /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_types.F /build/reproducible-path/cp2k-8.1/src/motion/simpar_methods.F /build/reproducible-path/cp2k-8.1/src/motion/bfgs_optimizer.F /build/reproducible-path/cp2k-8.1/src/motion/dimer_methods.F /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_vib.F /build/reproducible-path/cp2k-8.1/src/motion/averages_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_pwdft.F /build/reproducible-path/cp2k-8.1/src/preconditioner_solvers.F /build/reproducible-path/cp2k-8.1/src/hfx_screening_methods.F /build/reproducible-path/cp2k-8.1/src/atom_upf.F /build/reproducible-path/cp2k-8.1/src/mp2_setup.F /build/reproducible-path/cp2k-8.1/src/pw_env/pw_env_types.F /build/reproducible-path/cp2k-8.1/src/pw_env/cp_spline_utils.F /build/reproducible-path/cp2k-8.1/src/pw_env/gaussian_gridlevels.F /build/reproducible-path/cp2k-8.1/src/pw_env/rs_pw_interface.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F /build/reproducible-path/cp2k-8.1/src/qs_elec_field.F /build/reproducible-path/cp2k-8.1/src/metadynamics_types.F /build/reproducible-path/cp2k-8.1/src/response_solver.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_utils.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_global.F /build/reproducible-path/cp2k-8.1/src/pair_potential_util.F /build/reproducible-path/cp2k-8.1/src/metadynamics.F /build/reproducible-path/cp2k-8.1/src/qs_pdos.F /build/reproducible-path/cp2k-8.1/src/rpa_axk.F /build/reproducible-path/cp2k-8.1/src/linesearch.F /build/reproducible-path/cp2k-8.1/src/rmsd.F /build/reproducible-path/cp2k-8.1/src/qs_hash_table_functions.F /build/reproducible-path/cp2k-8.1/src/qs_electric_field_gradient.F /build/reproducible-path/cp2k-8.1/src/mixed_environment_utils.F /build/reproducible-path/cp2k-8.1/src/qmmmx_create.F /build/reproducible-path/cp2k-8.1/src/qmmm_elpot.F /build/reproducible-path/cp2k-8.1/src/kg_environment.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_utils.F /build/reproducible-path/cp2k-8.1/src/negf_integr_simpson.F /build/reproducible-path/cp2k-8.1/src/force_fields_input.F /build/reproducible-path/cp2k-8.1/src/force_fields_all.F /build/reproducible-path/cp2k-8.1/src/pao_optimizer.F /build/reproducible-path/cp2k-8.1/src/preconditioner_makes.F /build/reproducible-path/cp2k-8.1/src/fist_energy_types.F /build/reproducible-path/cp2k-8.1/src/hfx_load_balance_methods.F /build/reproducible-path/cp2k-8.1/src/qs_gspace_mixing.F /build/reproducible-path/cp2k-8.1/src/cp_control_types.F /build/reproducible-path/cp2k-8.1/src/kg_tnadd_mat.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_restart.F /build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F /build/reproducible-path/cp2k-8.1/src/qs_energy_init.F /build/reproducible-path/cp2k-8.1/src/qs_energy_matrix_w.F /build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F /build/reproducible-path/cp2k-8.1/src/constraint_4x6.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_methods.F /build/reproducible-path/cp2k-8.1/src/pexsi_methods.F /build/reproducible-path/cp2k-8.1/src/pao_potentials.F /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_matrix_methods.F /build/reproducible-path/cp2k-8.1/src/hfx_types.F /build/reproducible-path/cp2k-8.1/src/pao_ml.F /build/reproducible-path/cp2k-8.1/src/fist_efield_methods.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_neb.F /build/reproducible-path/cp2k-8.1/src/hirshfeld_types.F /build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F /build/reproducible-path/cp2k-8.1/src/mp2_cphf.F /build/reproducible-path/cp2k-8.1/src/statistical_methods.F /build/reproducible-path/cp2k-8.1/src/cp_ddapc_util.F /build/reproducible-path/cp2k-8.1/src/qs_dos.F /build/reproducible-path/cp2k-8.1/src/constraint_util.F /build/reproducible-path/cp2k-8.1/src/cp_ddapc_methods.F /build/reproducible-path/cp2k-8.1/src/topology_xyz.F /build/reproducible-path/cp2k-8.1/src/qmmm_create.F /build/reproducible-path/cp2k-8.1/src/generic_os_integrals.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_utils.F /build/reproducible-path/cp2k-8.1/src/farming_methods.F /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_cube.F /build/reproducible-path/cp2k-8.1/src/lri_compression.F /build/reproducible-path/cp2k-8.1/src/qs_p_env_types.F /build/reproducible-path/cp2k-8.1/src/xtb_matrices.F /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F /build/reproducible-path/cp2k-8.1/src/shg_int/s_contract_shg.F /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals.F /build/reproducible-path/cp2k-8.1/src/shg_int/constants_operator.F /build/reproducible-path/cp2k-8.1/src/shg_int/construct_shg.F /build/reproducible-path/cp2k-8.1/src/qs_resp.F /build/reproducible-path/cp2k-8.1/src/qs_environment_methods.F /build/reproducible-path/cp2k-8.1/src/qs_diis.F /build/reproducible-path/cp2k-8.1/src/constraint_3x3.F /build/reproducible-path/cp2k-8.1/src/atom_energy.F /build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int3_utils.F /build/reproducible-path/cp2k-8.1/src/fermi_utils.F /build/reproducible-path/cp2k-8.1/src/qs_o3c_methods.F /build/reproducible-path/cp2k-8.1/src/mixed_environment.F /build/reproducible-path/cp2k-8.1/src/qs_nl_hash_table_types.F /build/reproducible-path/cp2k-8.1/src/qs_active_space_methods.F /build/reproducible-path/cp2k-8.1/src/molecular_states.F /build/reproducible-path/cp2k-8.1/src/negf_env_types.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F /build/reproducible-path/cp2k-8.1/src/fist_environment.F /build/reproducible-path/cp2k-8.1/src/embed_types.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_types.F /build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F /build/reproducible-path/cp2k-8.1/src/kpoint_transitional.F /build/reproducible-path/cp2k-8.1/src/rpa_rse.F /build/reproducible-path/cp2k-8.1/src/qs_loc_molecules.F /build/reproducible-path/cp2k-8.1/src/force_fields_ext.F /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contract_block.F /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_single.F /build/reproducible-path/cp2k-8.1/src/qs_ot_types.F /build/reproducible-path/cp2k-8.1/src/dft_plus_u.F /build/reproducible-path/cp2k-8.1/src/qmmm_links_methods.F /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_methods.F /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_utils.F /build/reproducible-path/cp2k-8.1/src/topology_util.F /build/reproducible-path/cp2k-8.1/src/negf_vectors.F /build/reproducible-path/cp2k-8.1/src/block_p_types.F /build/reproducible-path/cp2k-8.1/src/f77_interface.F /build/reproducible-path/cp2k-8.1/src/qs_mo_methods.F /build/reproducible-path/cp2k-8.1/src/qs_scf_post_gpw.F /build/reproducible-path/cp2k-8.1/src/eip_environment.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_store_int_types.F /build/reproducible-path/cp2k-8.1/src/topology_connectivity_util.F /build/reproducible-path/cp2k-8.1/src/mp2_laplace.F /build/reproducible-path/cp2k-8.1/src/negf_integr_cc.F /build/reproducible-path/cp2k-8.1/src/virial_methods.F /build/reproducible-path/cp2k-8.1/src/atom_sgp.F /build/reproducible-path/cp2k-8.1/src/qs_sccs.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_xc.F /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F /build/reproducible-path/cp2k-8.1/src/atom_optimization.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_tb.F /build/reproducible-path/cp2k-8.1/src/csvr_system_types.F /build/reproducible-path/cp2k-8.1/src/hirshfeld_methods.F /build/reproducible-path/cp2k-8.1/src/eip_silicon.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F /build/reproducible-path/cp2k-8.1/src/bsse.F /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_kpoints.F /build/reproducible-path/cp2k-8.1/src/mulliken.F /build/reproducible-path/cp2k-8.1/src/pexsi_types.F /build/reproducible-path/cp2k-8.1/src/mixed_energy_types.F /build/reproducible-path/cp2k-8.1/src/almo_scf.F /build/reproducible-path/cp2k-8.1/src/kpoint_methods.F /build/reproducible-path/cp2k-8.1/src/xray_diffraction.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_fhxc.F /build/reproducible-path/cp2k-8.1/src/topology_pdb.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_mm.F /build/reproducible-path/cp2k-8.1/src/pao_linpot_rotinv.F /build/reproducible-path/cp2k-8.1/src/qs_core_hamiltonian.F /build/reproducible-path/cp2k-8.1/src/topology_generate_util.F /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_types.F /build/reproducible-path/cp2k-8.1/src/constraint_vsite.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_methods.F /build/reproducible-path/cp2k-8.1/src/qs_environment.F /build/reproducible-path/cp2k-8.1/src/qs_chargemol.F /build/reproducible-path/cp2k-8.1/src/cp_symmetry.F /build/reproducible-path/cp2k-8.1/src/qs_ot_scf.F /build/reproducible-path/cp2k-8.1/src/qs_outer_scf.F /build/reproducible-path/cp2k-8.1/src/mdctrl_types.F /build/reproducible-path/cp2k-8.1/src/topology_multiple_unit_cell.F /build/reproducible-path/cp2k-8.1/src/qs_scf_block_davidson.F /build/reproducible-path/cp2k-8.1/src/qs_scf_methods.F /build/reproducible-path/cp2k-8.1/src/qs_commutators.F /build/reproducible-path/cp2k-8.1/src/qs_loc_dipole.F /build/reproducible-path/cp2k-8.1/src/farming_types.F /build/reproducible-path/cp2k-8.1/src/dbcsrx/dbcsr_vector.F /build/reproducible-path/cp2k-8.1/src/simpar_types.F /build/reproducible-path/cp2k-8.1/src/pwdft_environment.F /build/reproducible-path/cp2k-8.1/src/uff_vdw_radii_table.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_subsys.F /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.F /build/reproducible-path/cp2k-8.1/src/xas_tp_scf.F /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis_types.F /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/src/nnp_environment_types.F /build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F /build/reproducible-path/cp2k-8.1/src/xtb_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_almo.F /build/reproducible-path/cp2k-8.1/src/qs_mo_io.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_qmmm.F /build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F /build/reproducible-path/cp2k-8.1/src/qs_ot_eigensolver.F /build/reproducible-path/cp2k-8.1/src/submatrix_dissection.F /build/reproducible-path/cp2k-8.1/src/pme_tools.F /build/reproducible-path/cp2k-8.1/src/qs_o3c_types.F /build/reproducible-path/cp2k-8.1/src/fist_main.F /build/reproducible-path/cp2k-8.1/src/fist_nonbond_env_types.F /build/reproducible-path/cp2k-8.1/src/rt_propagation_forces.F /build/reproducible-path/cp2k-8.1/src/qs_loc_states.F /build/reproducible-path/cp2k-8.1/src/mp2_grids.F /build/reproducible-path/cp2k-8.1/src/force_fields.F /build/reproducible-path/cp2k-8.1/src/header.F /build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F /build/reproducible-path/cp2k-8.1/src/qs_force_types.F /build/reproducible-path/cp2k-8.1/src/qs_fermi_contact.F /build/reproducible-path/cp2k-8.1/src/qs_scf_types.F /build/reproducible-path/cp2k-8.1/src/mm_collocate_potential.F /build/reproducible-path/cp2k-8.1/src/efield_tb_methods.F /build/reproducible-path/cp2k-8.1/src/csvr_system_utils.F /build/reproducible-path/cp2k-8.1/src/grrm_utils.F /build/reproducible-path/cp2k-8.1/src/qs_kind_types.F /build/reproducible-path/cp2k-8.1/src/replica_methods.F /build/reproducible-path/cp2k-8.1/src/pao_ml_neuralnet.F /build/reproducible-path/cp2k-8.1/src/qmmm_image_charge.F /build/reproducible-path/cp2k-8.1/src/distribution_2d_types.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_utils.F /build/reproducible-path/cp2k-8.1/src/auto_basis.F /build/reproducible-path/cp2k-8.1/src/spglib_f08.F /build/reproducible-path/cp2k-8.1/src/qs_rho0_ggrid.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_types.F /build/reproducible-path/cp2k-8.1/src/qs_fb_com_tasks_types.F /build/reproducible-path/cp2k-8.1/src/iterate_matrix.F /build/reproducible-path/cp2k-8.1/src/qs_fb_filter_matrix_methods.F /build/reproducible-path/cp2k-8.1/src/qs_scf_post_se.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_geev.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_types.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_api.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_methods.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_pool_types.F /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_types.F /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_diag.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_vect.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_elpa.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_basic_linalg.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_struct.F /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_types.F /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_calls.F /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_env.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_cholesky.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag_utils.F /build/reproducible-path/cp2k-8.1/src/fm/cp_linked_list_fm.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_coulomb.F /build/reproducible-path/cp2k-8.1/src/negf_green_cache.F /build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F /build/reproducible-path/cp2k-8.1/src/qs_environment_types.F /build/reproducible-path/cp2k-8.1/src/qs_gamma2kp.F /build/reproducible-path/cp2k-8.1/src/qs_diis_types.F /build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F /build/reproducible-path/cp2k-8.1/src/preconditioner_types.F /build/reproducible-path/cp2k-8.1/src/s_square_methods.F /build/reproducible-path/cp2k-8.1/src/qs_density_mixing_types.F /build/reproducible-path/cp2k-8.1/src/cp_ddapc_forces.F /build/reproducible-path/cp2k-8.1/src/qmmm_types.F /build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F /build/reproducible-path/cp2k-8.1/src/hartree_local_methods.F /build/reproducible-path/cp2k-8.1/src/moments_utils.F /build/reproducible-path/cp2k-8.1/src/rpa_kpoints.F /build/reproducible-path/cp2k-8.1/src/qs_fb_env_types.F /build/reproducible-path/cp2k-8.1/src/core_ppnl.F /build/reproducible-path/cp2k-8.1/src/fist_intra_force.F /build/reproducible-path/cp2k-8.1/src/mm_mapping_library.F /build/reproducible-path/cp2k-8.1/src/et_coupling_proj.F /build/reproducible-path/cp2k-8.1/src/atom_output.F /build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_force_eval.F /build/reproducible-path/cp2k-8.1/src/qs_tensors_types.F /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_init.F /build/reproducible-path/cp2k-8.1/src/domain_submatrix_types.F /build/reproducible-path/cp2k-8.1/src/mp2_integrals.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_num.F /build/reproducible-path/cp2k-8.1/src/molecular_dipoles.F /build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F /build/reproducible-path/cp2k-8.1/src/mixed_main.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_ls.F /build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F /build/reproducible-path/cp2k-8.1/src/qs_linres_methods.F /build/reproducible-path/cp2k-8.1/src/qs_energy_types.F /build/reproducible-path/cp2k-8.1/src/nnp_acsf.F /build/reproducible-path/cp2k-8.1/src/task_list_methods.F /build/reproducible-path/cp2k-8.1/src/qs_interactions.F /build/reproducible-path/cp2k-8.1/src/minbas_wfn_analysis.F /build/reproducible-path/cp2k-8.1/src/external_potential_methods.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_gks.F /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.c /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.c /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.c /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.c /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.c /build/reproducible-path/cp2k-8.1/src/grid/grid_miniapp.c /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_integrate_dgemm.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.c /build/reproducible-path/cp2k-8.1/src/grid/grid_unittest.c /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.c /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.c /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.c /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.c /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_integrate_hybrid.c /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_collocate_hybrid.c /build/reproducible-path/cp2k-8.1/src/pw/fpga/fft_fpga.c /build/reproducible-path/cp2k-8.1/src/pw/fpga/opencl_utils.c /build/reproducible-path/cp2k-8.1/src/sockets.c /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.c /build/reproducible-path/cp2k-8.1/src/start/libcp2k_unittest.c /build/reproducible-path/cp2k-8.1/src/common/sort_m.f90 /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_args.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/base/machine_posix.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/reproducible-path/cp2k-8.1/src/call_integrate.f90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table_types.f90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table.f90 /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_manipulation.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_selection.f90 /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_process_vab.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_prepare_pab.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_collint.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_collocate.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_integrate.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collint.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/hybrid_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_integrate_cuda.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_collocate_hybrid.h /build/reproducible-path/cp2k-8.1/src/pw/fpga/opencl_utils.h /build/reproducible-path/cp2k-8.1/src/pw/fpga/fft_fpga.h /build/reproducible-path/cp2k-8.1/src/pw/cuda/fft_cuda_internal.h /build/reproducible-path/cp2k-8.1/src/pw/cuda/pw_cuda_utils.h /build/reproducible-path/cp2k-8.1/src/pw/cuda/pw_cuda.h /build/reproducible-path/cp2k-8.1/src/pw/cuda/fft_cuda_utils.h /build/reproducible-path/cp2k-8.1/src/pw/cuda/fft_cuda.h /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.h /build/reproducible-path/cp2k-8.1/src/start/libcp2k.h /build/reproducible-path/cp2k-8.1/src/xc/PACKAGE /build/reproducible-path/cp2k-8.1/src/input/PACKAGE /build/reproducible-path/cp2k-8.1/src/common/PACKAGE /build/reproducible-path/cp2k-8.1/src/eri_mme/PACKAGE /build/reproducible-path/cp2k-8.1/src/tmc/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/common/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/cpu/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/gpu/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/ref/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/hybrid/PACKAGE /build/reproducible-path/cp2k-8.1/src/pw/fft/PACKAGE /build/reproducible-path/cp2k-8.1/src/pw/PACKAGE /build/reproducible-path/cp2k-8.1/src/pw/fpga/PACKAGE /build/reproducible-path/cp2k-8.1/src/pw/cuda/PACKAGE /build/reproducible-path/cp2k-8.1/src/swarm/PACKAGE /build/reproducible-path/cp2k-8.1/src/metadyn_tools/PACKAGE /build/reproducible-path/cp2k-8.1/src/minimax/PACKAGE /build/reproducible-path/cp2k-8.1/src/PACKAGE /build/reproducible-path/cp2k-8.1/src/subsys/PACKAGE /build/reproducible-path/cp2k-8.1/src/emd/PACKAGE /build/reproducible-path/cp2k-8.1/src/aobasis/PACKAGE /build/reproducible-path/cp2k-8.1/src/base/PACKAGE /build/reproducible-path/cp2k-8.1/src/start/PACKAGE /build/reproducible-path/cp2k-8.1/src/motion/mc/PACKAGE /build/reproducible-path/cp2k-8.1/src/motion/PACKAGE /build/reproducible-path/cp2k-8.1/src/motion/thermostat/PACKAGE /build/reproducible-path/cp2k-8.1/src/pw_env/PACKAGE /build/reproducible-path/cp2k-8.1/src/shg_int/PACKAGE /build/reproducible-path/cp2k-8.1/src/hfxbase/PACKAGE /build/reproducible-path/cp2k-8.1/src/dbcsrx/PACKAGE /build/reproducible-path/cp2k-8.1/src/mpiwrap/PACKAGE /build/reproducible-path/cp2k-8.1/src/arnoldi/PACKAGE /build/reproducible-path/cp2k-8.1/src/fm/PACKAGE dirs +mkdir -p /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp +mkdir -p /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts +mkdir -p /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp +mkdir -p /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts +mkdir -p /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran +mkdir -p /build/reproducible-path/cp2k-8.1/regtesting/Linux-x86_64-gfortran/psmp +/build/reproducible-path/cp2k-8.1/Makefile:448: update target 'makedep' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_parameters.F /build/reproducible-path/cp2k-8.1/src/rpa_kpoints.F /build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_utils.F /build/reproducible-path/cp2k-8.1/src/qmmm_init.F /build/reproducible-path/cp2k-8.1/src/pwdft_environment_types.F /build/reproducible-path/cp2k-8.1/src/kpoint_transitional.F /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_types.F /build/reproducible-path/cp2k-8.1/src/cp_ddapc_types.F /build/reproducible-path/cp2k-8.1/src/topology_util.F /build/reproducible-path/cp2k-8.1/src/molden_utils.F /build/reproducible-path/cp2k-8.1/src/pao_input.F /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_exchange.F /build/reproducible-path/cp2k-8.1/src/qs_o3c_types.F /build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/src/mixed_environment.F /build/reproducible-path/cp2k-8.1/src/qs_condnum.F /build/reproducible-path/cp2k-8.1/src/qs_gcp_utils.F /build/reproducible-path/cp2k-8.1/src/ewald_environment_types.F /build/reproducible-path/cp2k-8.1/src/kg_correction.F /build/reproducible-path/cp2k-8.1/src/kpoint_types.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_coulomb.F /build/reproducible-path/cp2k-8.1/src/library_tests.F /build/reproducible-path/cp2k-8.1/src/force_fields_util.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_thermostats.F /build/reproducible-path/cp2k-8.1/src/ewalds.F /build/reproducible-path/cp2k-8.1/src/efield_utils.F /build/reproducible-path/cp2k-8.1/src/integration_grid_types.F /build/reproducible-path/cp2k-8.1/src/qs_core_energies.F /build/reproducible-path/cp2k-8.1/src/lri_compression.F /build/reproducible-path/cp2k-8.1/src/qs_p_env_types.F /build/reproducible-path/cp2k-8.1/src/qs_charge_mixing.F /build/reproducible-path/cp2k-8.1/src/task_list_types.F /build/reproducible-path/cp2k-8.1/src/qs_loc_methods.F /build/reproducible-path/cp2k-8.1/src/metadynamics_types.F /build/reproducible-path/cp2k-8.1/src/constraint.F /build/reproducible-path/cp2k-8.1/src/force_fields_all.F /build/reproducible-path/cp2k-8.1/src/hirshfeld_types.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_methods.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_force_eval.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_module.F /build/reproducible-path/cp2k-8.1/src/s_square_methods.F /build/reproducible-path/cp2k-8.1/src/optimize_basis_types.F /build/reproducible-path/cp2k-8.1/src/qs_ot.F /build/reproducible-path/cp2k-8.1/src/admm_dm_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_check.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_external.F /build/reproducible-path/cp2k-8.1/src/al_system_types.F /build/reproducible-path/cp2k-8.1/src/atoms_input.F /build/reproducible-path/cp2k-8.1/src/qs_wannier90.F /build/reproducible-path/cp2k-8.1/src/mp2_setup.F /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k15.F /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k53.F /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp.F /build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F /build/reproducible-path/cp2k-8.1/src/cell_methods.F /build/reproducible-path/cp2k-8.1/src/qs_harmonics_atom.F /build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F /build/reproducible-path/cp2k-8.1/src/molecular_moments.F /build/reproducible-path/cp2k-8.1/src/mao_basis.F /build/reproducible-path/cp2k-8.1/src/lri_environment_types.F /build/reproducible-path/cp2k-8.1/src/block_p_types.F /build/reproducible-path/cp2k-8.1/src/xas_methods.F /build/reproducible-path/cp2k-8.1/src/graphcon.F /build/reproducible-path/cp2k-8.1/src/negf_subgroup_types.F /build/reproducible-path/cp2k-8.1/src/topology_cif.F /build/reproducible-path/cp2k-8.1/src/qs_charges_types.F /build/reproducible-path/cp2k-8.1/src/xtb_coulomb.F /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_coulomb.F /build/reproducible-path/cp2k-8.1/src/qmmm_per_elpot.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_pwdft.F /build/reproducible-path/cp2k-8.1/src/pao_ml_neuralnet.F /build/reproducible-path/cp2k-8.1/src/motion_utils.F /build/reproducible-path/cp2k-8.1/src/transport_env_types.F /build/reproducible-path/cp2k-8.1/src/pao_param_fock.F /build/reproducible-path/cp2k-8.1/src/qs_subsys_types.F /build/reproducible-path/cp2k-8.1/src/constraint_util.F /build/reproducible-path/cp2k-8.1/src/qs_cdft_types.F /build/reproducible-path/cp2k-8.1/src/qs_period_efield_types.F /build/reproducible-path/cp2k-8.1/src/optimize_basis_utils.F /build/reproducible-path/cp2k-8.1/src/xc_write_output.F /build/reproducible-path/cp2k-8.1/src/ipi_driver.F /build/reproducible-path/cp2k-8.1/src/input_constants.F /build/reproducible-path/cp2k-8.1/src/qs_scf_post_se.F /build/reproducible-path/cp2k-8.1/src/pw/pw_pool_types.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F /build/reproducible-path/cp2k-8.1/src/pw/pw_grids.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_types.F /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_methods.F /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_cube.F /build/reproducible-path/cp2k-8.1/src/pw/dg_rho0_types.F /build/reproducible-path/cp2k-8.1/src/pw/dg_types.F /build/reproducible-path/cp2k-8.1/src/pw/lazy.F /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_types.F /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_types.F /build/reproducible-path/cp2k-8.1/src/pw/pw_spline_utils.F /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_info.F /build/reproducible-path/cp2k-8.1/src/pw/dgs.F /build/reproducible-path/cp2k-8.1/src/pw/mt_util.F /build/reproducible-path/cp2k-8.1/src/pw/cp_linked_list_pw.F /build/reproducible-path/cp2k-8.1/src/pw/rs_methods.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_kernel.F /build/reproducible-path/cp2k-8.1/src/pw/cube_utils.F /build/reproducible-path/cp2k-8.1/src/pw/fft_tools.F /build/reproducible-path/cp2k-8.1/src/pw/dielectric_methods.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_util.F /build/reproducible-path/cp2k-8.1/src/pw/pw_methods.F /build/reproducible-path/cp2k-8.1/src/pw/dct.F /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_types.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_methods.F /build/reproducible-path/cp2k-8.1/src/pw/fast.F /build/reproducible-path/cp2k-8.1/src/pw/pw_cuda.F /build/reproducible-path/cp2k-8.1/src/pw/dielectric_types.F /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_methods.F /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_lib.F /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_kinds.F /build/reproducible-path/cp2k-8.1/src/pw/fft/fftsg_lib.F /build/reproducible-path/cp2k-8.1/src/pw/fft/fftw3_lib.F /build/reproducible-path/cp2k-8.1/src/pw/fft/mltfftsg_tools.F /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_plan.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_fft3d.F /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_types.F /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_types.F /build/reproducible-path/cp2k-8.1/src/pw/pw_types.F /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_base.F /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_methods.F /build/reproducible-path/cp2k-8.1/src/pw/pw_fpga.F /build/reproducible-path/cp2k-8.1/src/qs_basis_gradient.F /build/reproducible-path/cp2k-8.1/src/qs_commutators.F /build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F /build/reproducible-path/cp2k-8.1/src/gle_system_types.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_oneelectron.F /build/reproducible-path/cp2k-8.1/src/aobasis/sto_ng.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_debug.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_moments.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_verfc.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_pointers.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_eri_debug.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_kinetic.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_derivatives.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_aabb.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_spin_orbit.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_os_rr.F /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_types.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap.F /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_transformation_matrices.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_ppl.F /build/reproducible-path/cp2k-8.1/src/aobasis/aux_basis_set.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_angmom.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3_debug.F /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_container_types.F /build/reproducible-path/cp2k-8.1/src/aobasis/ao_util.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_fermi_contact.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb_test.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operators_r12.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operator_ra2m.F /build/reproducible-path/cp2k-8.1/src/aobasis/soft_basis_set.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction_sphi.F /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_symbols.F /build/reproducible-path/cp2k-8.1/src/aobasis/ai_elec_field.F /build/reproducible-path/cp2k-8.1/src/qmmmx_update.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_subsys.F /build/reproducible-path/cp2k-8.1/src/rpa_main.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F /build/reproducible-path/cp2k-8.1/src/submatrix_types.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_subgroups.F /build/reproducible-path/cp2k-8.1/src/mao_types.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_restart.F /build/reproducible-path/cp2k-8.1/src/rpa_util.F /build/reproducible-path/cp2k-8.1/src/qs_scf_initialization.F /build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F /build/reproducible-path/cp2k-8.1/src/energy_corrections.F /build/reproducible-path/cp2k-8.1/src/qs_subsys_methods.F /build/reproducible-path/cp2k-8.1/src/atom_utils.F /build/reproducible-path/cp2k-8.1/src/spglib_f08.F /build/reproducible-path/cp2k-8.1/src/pwdft_environment.F /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cholesky.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm_master.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm_message.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_mincrawl.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_minhop.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm_mpi.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_history.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_worker.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_master.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm.F /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_input.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm_input.F /build/reproducible-path/cp2k-8.1/src/swarm/swarm_worker.F /build/reproducible-path/cp2k-8.1/src/admm_methods.F /build/reproducible-path/cp2k-8.1/src/constraint_4x6.F /build/reproducible-path/cp2k-8.1/src/splines_types.F /build/reproducible-path/cp2k-8.1/src/qs_cdft_utils.F /build/reproducible-path/cp2k-8.1/src/generic_os_integrals.F /build/reproducible-path/cp2k-8.1/src/force_field_types.F /build/reproducible-path/cp2k-8.1/src/constraint_vsite.F /build/reproducible-path/cp2k-8.1/src/rmsd.F /build/reproducible-path/cp2k-8.1/src/atom_optimization.F /build/reproducible-path/cp2k-8.1/src/pexsi_types.F /build/reproducible-path/cp2k-8.1/src/pme.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_arrays.F /build/reproducible-path/cp2k-8.1/src/qs_scf_loop_utils.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F /build/reproducible-path/cp2k-8.1/src/header.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_xc.F /build/reproducible-path/cp2k-8.1/src/topology_input.F /build/reproducible-path/cp2k-8.1/src/atom_grb.F /build/reproducible-path/cp2k-8.1/src/qs_gcp_types.F /build/reproducible-path/cp2k-8.1/src/embed_environment.F /build/reproducible-path/cp2k-8.1/src/qs_wf_history_methods.F /build/reproducible-path/cp2k-8.1/src/extended_system_types.F /build/reproducible-path/cp2k-8.1/src/hfx_screening_methods.F /build/reproducible-path/cp2k-8.1/src/free_energy_types.F /build/reproducible-path/cp2k-8.1/src/qs_scf_lanczos.F /build/reproducible-path/cp2k-8.1/src/qs_linres_op.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_densities.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_types.F /build/reproducible-path/cp2k-8.1/src/input/input_enumeration_types.F /build/reproducible-path/cp2k-8.1/src/input/input_keyword_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_methods.F /build/reproducible-path/cp2k-8.1/src/input/input_parsing.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_buffer_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_status_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_methods.F /build/reproducible-path/cp2k-8.1/src/input/cp_output_handling.F /build/reproducible-path/cp2k-8.1/src/input/cp_linked_list_input.F /build/reproducible-path/cp2k-8.1/src/input/input_val_types.F /build/reproducible-path/cp2k-8.1/src/input/input_section_types.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_methods.F /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_types.F /build/reproducible-path/cp2k-8.1/src/qs_environment_methods.F /build/reproducible-path/cp2k-8.1/src/qmmmx_force.F /build/reproducible-path/cp2k-8.1/src/atom_pseudo.F /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential.F /build/reproducible-path/cp2k-8.1/src/force_env_methods.F /build/reproducible-path/cp2k-8.1/src/mixed_cdft_types.F /build/reproducible-path/cp2k-8.1/src/lri_forces.F /build/reproducible-path/cp2k-8.1/src/embed_main.F /build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F /build/reproducible-path/cp2k-8.1/src/fist_neighbor_lists.F /build/reproducible-path/cp2k-8.1/src/manybody_eam.F /build/reproducible-path/cp2k-8.1/src/qs_rho0_ggrid.F /build/reproducible-path/cp2k-8.1/src/qs_mom_types.F /build/reproducible-path/cp2k-8.1/src/qs_linres_polar_utils.F /build/reproducible-path/cp2k-8.1/src/surface_dipole.F /build/reproducible-path/cp2k-8.1/src/common/whittaker.F /build/reproducible-path/cp2k-8.1/src/common/kahan_sum.F /build/reproducible-path/cp2k-8.1/src/common/fparser.F /build/reproducible-path/cp2k-8.1/src/common/cp_para_types.F /build/reproducible-path/cp2k-8.1/src/common/lapack.F /build/reproducible-path/cp2k-8.1/src/common/physcon.F /build/reproducible-path/cp2k-8.1/src/common/list_routinereport.F /build/reproducible-path/cp2k-8.1/src/common/cp_iter_types.F /build/reproducible-path/cp2k-8.1/src/common/bibliography.F /build/reproducible-path/cp2k-8.1/src/common/string_table.F /build/reproducible-path/cp2k-8.1/src/common/list_routinestat.F /build/reproducible-path/cp2k-8.1/src/common/timings_types.F /build/reproducible-path/cp2k-8.1/src/common/t_sh_p_s_c.F /build/reproducible-path/cp2k-8.1/src/common/cp_result_types.F /build/reproducible-path/cp2k-8.1/src/common/cp_min_heap.F /build/reproducible-path/cp2k-8.1/src/common/string_utilities.F /build/reproducible-path/cp2k-8.1/src/common/lebedev.F /build/reproducible-path/cp2k-8.1/src/common/eigenvalueproblems.F /build/reproducible-path/cp2k-8.1/src/common/gamma.F /build/reproducible-path/cp2k-8.1/src/common/memory_utilities.F /build/reproducible-path/cp2k-8.1/src/common/cp_para_env.F /build/reproducible-path/cp2k-8.1/src/common/spherical_harmonics.F /build/reproducible-path/cp2k-8.1/src/common/reference_manager.F /build/reproducible-path/cp2k-8.1/src/common/timings_base_type.F /build/reproducible-path/cp2k-8.1/src/common/cp_result_methods.F /build/reproducible-path/cp2k-8.1/src/common/timings_report.F /build/reproducible-path/cp2k-8.1/src/common/structure_factor_types.F /build/reproducible-path/cp2k-8.1/src/common/linear_systems.F /build/reproducible-path/cp2k-8.1/src/common/cp_array_utils.F /build/reproducible-path/cp2k-8.1/src/common/mathlib.F /build/reproducible-path/cp2k-8.1/src/common/list.F /build/reproducible-path/cp2k-8.1/src/common/cp_log_handling.F /build/reproducible-path/cp2k-8.1/src/common/structure_factors.F /build/reproducible-path/cp2k-8.1/src/common/cp_files.F /build/reproducible-path/cp2k-8.1/src/common/cg_test.F /build/reproducible-path/cp2k-8.1/src/common/bessel_lib.F /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types_unittest.F /build/reproducible-path/cp2k-8.1/src/common/cp_error_handling.F /build/reproducible-path/cp2k-8.1/src/common/routine_map.F /build/reproducible-path/cp2k-8.1/src/common/cp_units.F /build/reproducible-path/cp2k-8.1/src/common/distribution_1d_types.F /build/reproducible-path/cp2k-8.1/src/common/list_callstackentry.F /build/reproducible-path/cp2k-8.1/src/common/mathconstants.F /build/reproducible-path/cp2k-8.1/src/common/timings.F /build/reproducible-path/cp2k-8.1/src/common/splines.F /build/reproducible-path/cp2k-8.1/src/common/cp_array_sort.F /build/reproducible-path/cp2k-8.1/src/common/periodic_table.F /build/reproducible-path/cp2k-8.1/src/common/t_c_g0.F /build/reproducible-path/cp2k-8.1/src/common/memory_utilities_unittest.F /build/reproducible-path/cp2k-8.1/src/common/list_timerenv.F /build/reproducible-path/cp2k-8.1/src/common/d3_poly.F /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F /build/reproducible-path/cp2k-8.1/src/common/powell.F /build/reproducible-path/cp2k-8.1/src/common/cuda_profiling.F /build/reproducible-path/cp2k-8.1/src/common/print_messages.F /build/reproducible-path/cp2k-8.1/src/common/callgraph.F /build/reproducible-path/cp2k-8.1/src/common/util.F /build/reproducible-path/cp2k-8.1/src/qs_epr_hyp.F /build/reproducible-path/cp2k-8.1/src/qs_electric_field_gradient.F /build/reproducible-path/cp2k-8.1/src/hirshfeld_methods.F /build/reproducible-path/cp2k-8.1/src/et_coupling_proj.F /build/reproducible-path/cp2k-8.1/src/hfx_libint_interface.F /build/reproducible-path/cp2k-8.1/src/fist_intra_force.F /build/reproducible-path/cp2k-8.1/src/cp2k_info.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_atom.F /build/reproducible-path/cp2k-8.1/src/hfx_pair_list_methods.F /build/reproducible-path/cp2k-8.1/src/qs_fermi_contact.F /build/reproducible-path/cp2k-8.1/src/debug_os_integrals.F /build/reproducible-path/cp2k-8.1/src/hfx_energy_potential.F /build/reproducible-path/cp2k-8.1/src/manybody_tersoff.F /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_types.F /build/reproducible-path/cp2k-8.1/src/ct_methods.F /build/reproducible-path/cp2k-8.1/src/qmmm_pw_grid.F /build/reproducible-path/cp2k-8.1/src/base/base_hooks.F /build/reproducible-path/cp2k-8.1/src/base/machine_internal.F /build/reproducible-path/cp2k-8.1/src/base/kinds.F /build/reproducible-path/cp2k-8.1/src/base/machine.F /build/reproducible-path/cp2k-8.1/src/cp_subsys_methods.F /build/reproducible-path/cp2k-8.1/src/colvar_utils.F /build/reproducible-path/cp2k-8.1/src/metadynamics_utils.F /build/reproducible-path/cp2k-8.1/src/atomic_charges.F /build/reproducible-path/cp2k-8.1/src/particle_methods.F /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_init.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_transport.F /build/reproducible-path/cp2k-8.1/src/rpa_rse.F /build/reproducible-path/cp2k-8.1/src/qs_ks_apply_restraints.F /build/reproducible-path/cp2k-8.1/src/qs_scf_post_scf.F /build/reproducible-path/cp2k-8.1/src/pair_potential_coulomb.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_dft.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_create.F /build/reproducible-path/cp2k-8.1/src/fp_methods.F /build/reproducible-path/cp2k-8.1/src/mp2_ri_libint.F /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.F /build/reproducible-path/cp2k-8.1/src/qmmm_elpot.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_gks.F /build/reproducible-path/cp2k-8.1/src/qs_local_properties.F /build/reproducible-path/cp2k-8.1/src/optimize_dmfet_potential.F /build/reproducible-path/cp2k-8.1/src/topology_connectivity_util.F /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cp2k_link.F /build/reproducible-path/cp2k-8.1/src/qs_external_potential.F /build/reproducible-path/cp2k-8.1/src/input_restart_rng.F /build/reproducible-path/cp2k-8.1/src/qs_oce_types.F /build/reproducible-path/cp2k-8.1/src/preconditioner_solvers.F /build/reproducible-path/cp2k-8.1/src/nnp_environment.F /build/reproducible-path/cp2k-8.1/src/negf_atom_map.F /build/reproducible-path/cp2k-8.1/src/qs_rho0_types.F /build/reproducible-path/cp2k-8.1/src/optimize_basis.F /build/reproducible-path/cp2k-8.1/src/qmmm_util.F /build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F /build/reproducible-path/cp2k-8.1/src/pw_env_methods.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_field.F /build/reproducible-path/cp2k-8.1/src/qs_dispersion_utils.F /build/reproducible-path/cp2k-8.1/src/mp2_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_global.F /build/reproducible-path/cp2k-8.1/src/qs_energy_types.F /build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F /build/reproducible-path/cp2k-8.1/src/qmmm_types_low.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_tb.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F /build/reproducible-path/cp2k-8.1/src/atom_kind_orbitals.F /build/reproducible-path/cp2k-8.1/src/qs_ot_types.F /build/reproducible-path/cp2k-8.1/src/negf_env_types.F /build/reproducible-path/cp2k-8.1/src/pao_linpot_rotinv.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_curvy.F /build/reproducible-path/cp2k-8.1/src/mulliken.F /build/reproducible-path/cp2k-8.1/src/admm_dm_methods.F /build/reproducible-path/cp2k-8.1/src/dbcsrx/dbcsr_vector.F /build/reproducible-path/cp2k-8.1/src/qs_mo_types.F /build/reproducible-path/cp2k-8.1/src/cp_external_control.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_hfx.F /build/reproducible-path/cp2k-8.1/src/qs_vxc.F /build/reproducible-path/cp2k-8.1/src/rel_control_types.F /build/reproducible-path/cp2k-8.1/src/matrix_exp.F /build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F /build/reproducible-path/cp2k-8.1/src/force_fields_input.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_num.F /build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F /build/reproducible-path/cp2k-8.1/src/farming_methods.F /build/reproducible-path/cp2k-8.1/src/distribution_methods.F /build/reproducible-path/cp2k-8.1/src/qmmm_image_charge.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_parameters.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_fhxc.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_constraints.F /build/reproducible-path/cp2k-8.1/src/ec_env_types.F /build/reproducible-path/cp2k-8.1/src/ls_matrix_exp.F /build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F /build/reproducible-path/cp2k-8.1/src/pao_main.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_mp2.F /build/reproducible-path/cp2k-8.1/src/qs_fb_com_tasks_types.F /build/reproducible-path/cp2k-8.1/src/hfx_ri.F /build/reproducible-path/cp2k-8.1/src/input_restart_force_eval.F /build/reproducible-path/cp2k-8.1/src/et_coupling_types.F /build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F /build/reproducible-path/cp2k-8.1/src/qs_tensors_types.F /build/reproducible-path/cp2k-8.1/src/force_env_utils.F /build/reproducible-path/cp2k-8.1/src/simpar_types.F /build/reproducible-path/cp2k-8.1/src/shg_integrals_test.F /build/reproducible-path/cp2k-8.1/src/constraint_clv.F /build/reproducible-path/cp2k-8.1/src/qs_cdft_opt_types.F /build/reproducible-path/cp2k-8.1/src/mode_selective.F /build/reproducible-path/cp2k-8.1/src/qs_scf.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_colvar.F /build/reproducible-path/cp2k-8.1/src/lri_environment_init.F /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_single.F /build/reproducible-path/cp2k-8.1/src/domain_submatrix_types.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_types.F /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_utils.F /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_methods.F /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph.F /build/reproducible-path/cp2k-8.1/src/constraint_fxd.F /build/reproducible-path/cp2k-8.1/src/rt_propagation_types.F /build/reproducible-path/cp2k-8.1/src/qs_initial_guess.F /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F /build/reproducible-path/cp2k-8.1/src/hfx_types.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_methods.F /build/reproducible-path/cp2k-8.1/src/qmmm_ff_fist.F /build/reproducible-path/cp2k-8.1/src/atom_basis.F /build/reproducible-path/cp2k-8.1/src/motion/integrator.F /build/reproducible-path/cp2k-8.1/src/motion/neb_md_utils.F /build/reproducible-path/cp2k-8.1/src/motion/neb_opt_utils.F /build/reproducible-path/cp2k-8.1/src/motion/pint_staging.F /build/reproducible-path/cp2k-8.1/src/motion/pint_io.F /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.F /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_types.F /build/reproducible-path/cp2k-8.1/src/motion/cell_opt.F /build/reproducible-path/cp2k-8.1/src/motion/averages_types.F /build/reproducible-path/cp2k-8.1/src/motion/pint_transformations.F /build/reproducible-path/cp2k-8.1/src/motion/pint_public.F /build/reproducible-path/cp2k-8.1/src/motion/md_ener_types.F /build/reproducible-path/cp2k-8.1/src/motion/cg_optimizer.F /build/reproducible-path/cp2k-8.1/src/motion/geo_opt.F /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_utils.F /build/reproducible-path/cp2k-8.1/src/motion/bfgs_optimizer.F /build/reproducible-path/cp2k-8.1/src/motion/neb_utils.F /build/reproducible-path/cp2k-8.1/src/motion/helium_types.F /build/reproducible-path/cp2k-8.1/src/motion/rt_propagation.F /build/reproducible-path/cp2k-8.1/src/motion/md_vel_utils.F /build/reproducible-path/cp2k-8.1/src/motion/helium_methods.F /build/reproducible-path/cp2k-8.1/src/motion/neb_io.F /build/reproducible-path/cp2k-8.1/src/motion/pint_types.F /build/reproducible-path/cp2k-8.1/src/motion/xyz2dcd.F /build/reproducible-path/cp2k-8.1/src/motion/free_energy_methods.F /build/reproducible-path/cp2k-8.1/src/motion/dimer_methods.F /build/reproducible-path/cp2k-8.1/src/motion/shell_opt.F /build/reproducible-path/cp2k-8.1/src/motion/md_run.F /build/reproducible-path/cp2k-8.1/src/motion/reftraj_types.F /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs.F /build/reproducible-path/cp2k-8.1/src/motion/neb_methods.F /build/reproducible-path/cp2k-8.1/src/motion/helium_common.F /build/reproducible-path/cp2k-8.1/src/motion/md_environment_types.F /build/reproducible-path/cp2k-8.1/src/motion/pint_pile.F /build/reproducible-path/cp2k-8.1/src/motion/velocity_verlet_control.F /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_restarts.F /build/reproducible-path/cp2k-8.1/src/motion/pint_normalmode.F /build/reproducible-path/cp2k-8.1/src/motion/md_util.F /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_types.F /build/reproducible-path/cp2k-8.1/src/motion/gopt_param_types.F /build/reproducible-path/cp2k-8.1/src/motion/dimer_types.F /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/reproducible-path/cp2k-8.1/src/motion/md_conserved_quantities.F /build/reproducible-path/cp2k-8.1/src/motion/pint_piglet.F /build/reproducible-path/cp2k-8.1/src/motion/pint_qtb.F /build/reproducible-path/cp2k-8.1/src/motion/helium_interactions.F /build/reproducible-path/cp2k-8.1/src/motion/dimer_utils.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_init.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_init.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_init.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_mapping.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_utils.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_types.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_methods.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_types.F /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/motion/simpar_methods.F /build/reproducible-path/cp2k-8.1/src/motion/dumpdcd.F /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_methods.F /build/reproducible-path/cp2k-8.1/src/motion/md_energies.F /build/reproducible-path/cp2k-8.1/src/motion/wiener_process.F /build/reproducible-path/cp2k-8.1/src/motion/helium_worm.F /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_types.F /build/reproducible-path/cp2k-8.1/src/motion/helium_io.F /build/reproducible-path/cp2k-8.1/src/motion/mdctrl_methods.F /build/reproducible-path/cp2k-8.1/src/motion/neb_types.F /build/reproducible-path/cp2k-8.1/src/motion/pint_gle.F /build/reproducible-path/cp2k-8.1/src/motion/integrator_utils.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_moves.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_environment_types.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_move_control.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_types.F /build/reproducible-path/cp2k-8.1/src/motion/mc/tamc_run.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_coordinates.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_misc.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ensembles.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_control.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ge_moves.F /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_run.F /build/reproducible-path/cp2k-8.1/src/motion/cg_utils.F /build/reproducible-path/cp2k-8.1/src/motion/glbopt_callback.F /build/reproducible-path/cp2k-8.1/src/motion/helium_sampling.F /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_vib.F /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_geo.F /build/reproducible-path/cp2k-8.1/src/motion/pint_methods.F /build/reproducible-path/cp2k-8.1/src/motion/reftraj_util.F /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_utils.F /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_md.F /build/reproducible-path/cp2k-8.1/src/motion/vibrational_analysis.F /build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xalpha.F /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_cflags_types.F /build/reproducible-path/cp2k-8.1/src/xc/xc_sr_lda.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/xc/xc.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/xc/xc_tfw.F /build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F /build/reproducible-path/cp2k-8.1/src/xc/xc_derivatives.F /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_set_types.F /build/reproducible-path/cp2k-8.1/src/xc/xc_hcth.F /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_set_types.F /build/reproducible-path/cp2k-8.1/src/xc/xc_pade.F /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_desc.F /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc.F /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp.F /build/reproducible-path/cp2k-8.1/src/xc/xc_exchange_gga.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/reproducible-path/cp2k-8.1/src/xc/xc_thomas_fermi.F /build/reproducible-path/cp2k-8.1/src/xc/xc_b97.F /build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F /build/reproducible-path/cp2k-8.1/src/xc/xc_cs1.F /build/reproducible-path/cp2k-8.1/src/xc/xc_ke_gga.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew86.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F /build/reproducible-path/cp2k-8.1/src/xc/xc_atom.F /build/reproducible-path/cp2k-8.1/src/xc/xc_optx.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88.F /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc_wrap.F /build/reproducible-path/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F /build/reproducible-path/cp2k-8.1/src/xc/xc_functionals_utilities.F /build/reproducible-path/cp2k-8.1/src/xc/xc_input_constants.F /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F /build/reproducible-path/cp2k-8.1/src/xc/xc_tpss.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xwpbe.F /build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_types.F /build/reproducible-path/cp2k-8.1/src/se_core_core.F /build/reproducible-path/cp2k-8.1/src/qs_active_space_methods.F /build/reproducible-path/cp2k-8.1/src/topology_generate_util.F /build/reproducible-path/cp2k-8.1/src/se_fock_matrix.F /build/reproducible-path/cp2k-8.1/src/rpa_gw.F /build/reproducible-path/cp2k-8.1/src/nnp_model.F /build/reproducible-path/cp2k-8.1/src/qs_efield_local.F /build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F /build/reproducible-path/cp2k-8.1/src/eip_environment.F /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_methods.F /build/reproducible-path/cp2k-8.1/src/mao_optimizer.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int3_utils.F /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contract_block.F /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F /build/reproducible-path/cp2k-8.1/src/paw_proj_set_types.F /build/reproducible-path/cp2k-8.1/src/pexsi_methods.F /build/reproducible-path/cp2k-8.1/src/force_fields.F /build/reproducible-path/cp2k-8.1/src/xtb_parameters.F /build/reproducible-path/cp2k-8.1/src/almo_scf_lbfgs_types.F /build/reproducible-path/cp2k-8.1/src/rpa_gw_im_time_util.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_negf.F /build/reproducible-path/cp2k-8.1/src/qmmm_topology_util.F /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_utils.F /build/reproducible-path/cp2k-8.1/src/maxwell_solver_interface.F /build/reproducible-path/cp2k-8.1/src/kpoint_io.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_read.F /build/reproducible-path/cp2k-8.1/src/grrm_utils.F /build/reproducible-path/cp2k-8.1/src/hfx_pw_methods.F /build/reproducible-path/cp2k-8.1/src/kg_tnadd_mat.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_types.F /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_nablavks.F /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_energy.F /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_data.F /build/reproducible-path/cp2k-8.1/src/scine_utils.F /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad_util.F /build/reproducible-path/cp2k-8.1/src/qs_cdft_methods.F /build/reproducible-path/cp2k-8.1/src/optbas_opt_utils.F /build/reproducible-path/cp2k-8.1/src/molsym.F /build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F /build/reproducible-path/cp2k-8.1/src/kpoint_coulomb_2c.F /build/reproducible-path/cp2k-8.1/src/auto_basis.F /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_types.F /build/reproducible-path/cp2k-8.1/src/manybody_quip.F /build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F /build/reproducible-path/cp2k-8.1/src/rtp_admm_methods.F /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_operations.F /build/reproducible-path/cp2k-8.1/src/qs_energy_init.F /build/reproducible-path/cp2k-8.1/src/core_ppl.F /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_diag.F /build/reproducible-path/cp2k-8.1/src/cp_control_types.F /build/reproducible-path/cp2k-8.1/src/qs_dftb3_methods.F /build/reproducible-path/cp2k-8.1/src/qs_ks_atom.F /build/reproducible-path/cp2k-8.1/src/mp2_integrals.F /build/reproducible-path/cp2k-8.1/src/minbas_methods.F /build/reproducible-path/cp2k-8.1/src/pme_tools.F /build/reproducible-path/cp2k-8.1/src/ewald_methods_tb.F /build/reproducible-path/cp2k-8.1/src/qs_wf_history_types.F /build/reproducible-path/cp2k-8.1/src/qs_block_davidson_types.F /build/reproducible-path/cp2k-8.1/src/outer_scf_control_types.F /build/reproducible-path/cp2k-8.1/src/fp_types.F /build/reproducible-path/cp2k-8.1/src/topology_multiple_unit_cell.F /build/reproducible-path/cp2k-8.1/src/qs_scf_block_davidson.F /build/reproducible-path/cp2k-8.1/src/constraint_3x3.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_atprop.F /build/reproducible-path/cp2k-8.1/src/pexsi_interface.F /build/reproducible-path/cp2k-8.1/src/mm_mapping_library.F /build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F /build/reproducible-path/cp2k-8.1/src/sap_kind_types.F /build/reproducible-path/cp2k-8.1/src/ewald_spline_util.F /build/reproducible-path/cp2k-8.1/src/qs_tensors.F /build/reproducible-path/cp2k-8.1/src/qs_density_mixing_types.F /build/reproducible-path/cp2k-8.1/src/uff_vdw_radii_table.F /build/reproducible-path/cp2k-8.1/src/xas_tp_scf.F /build/reproducible-path/cp2k-8.1/src/cryssym.F /build/reproducible-path/cp2k-8.1/src/rpa_communication.F /build/reproducible-path/cp2k-8.1/src/xas_restart.F /build/reproducible-path/cp2k-8.1/src/kg_environment.F /build/reproducible-path/cp2k-8.1/src/qs_scf_types.F /build/reproducible-path/cp2k-8.1/src/mscfg_types.F /build/reproducible-path/cp2k-8.1/src/qs_gamma2kp.F /build/reproducible-path/cp2k-8.1/src/qs_linres_atom_current.F /build/reproducible-path/cp2k-8.1/src/pair_potential_types.F /build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_distribution.F /build/reproducible-path/cp2k-8.1/src/qs_fb_env_types.F /build/reproducible-path/cp2k-8.1/src/scf_control_types.F /build/reproducible-path/cp2k-8.1/src/qs_spin_orbit.F /build/reproducible-path/cp2k-8.1/src/atom_xc.F /build/reproducible-path/cp2k-8.1/src/cp_ddapc_forces.F /build/reproducible-path/cp2k-8.1/src/mp2_gpw.F /build/reproducible-path/cp2k-8.1/src/submatrix_dissection.F /build/reproducible-path/cp2k-8.1/src/hfx_communication.F /build/reproducible-path/cp2k-8.1/src/atom_operators.F /build/reproducible-path/cp2k-8.1/src/qs_fb_distribution_methods.F /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_cube.F /build/reproducible-path/cp2k-8.1/src/qmmm_force.F /build/reproducible-path/cp2k-8.1/src/cp_control_utils.F /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_methods.F /build/reproducible-path/cp2k-8.1/src/core_ae.F /build/reproducible-path/cp2k-8.1/src/qs_ot_minimizer.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_ec.F /build/reproducible-path/cp2k-8.1/src/qs_linres_current.F /build/reproducible-path/cp2k-8.1/src/input_optimize_input.F /build/reproducible-path/cp2k-8.1/src/fist_environment.F /build/reproducible-path/cp2k-8.1/src/ewald_pw_types.F /build/reproducible-path/cp2k-8.1/src/sirius_interface.F /build/reproducible-path/cp2k-8.1/src/pw_env/cp_spline_utils.F /build/reproducible-path/cp2k-8.1/src/pw_env/gaussian_gridlevels.F /build/reproducible-path/cp2k-8.1/src/pw_env/rs_pw_interface.F /build/reproducible-path/cp2k-8.1/src/pw_env/pw_env_types.F /build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F /build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F /build/reproducible-path/cp2k-8.1/src/pao_linpot_full.F /build/reproducible-path/cp2k-8.1/src/qs_dos.F /build/reproducible-path/cp2k-8.1/src/qs_fb_matrix_data_types.F /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_init.F /build/reproducible-path/cp2k-8.1/src/preconditioner_makes.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_methods.F /build/reproducible-path/cp2k-8.1/src/f77_interface.F /build/reproducible-path/cp2k-8.1/src/emd/rt_delta_pulse.F /build/reproducible-path/cp2k-8.1/src/emd/rt_propagator_init.F /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_methods.F /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_output.F /build/reproducible-path/cp2k-8.1/src/emd/rt_make_propagators.F /build/reproducible-path/cp2k-8.1/src/emd/rt_hfx_utils.F /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_utils.F /build/reproducible-path/cp2k-8.1/src/atom_types.F /build/reproducible-path/cp2k-8.1/src/manybody_gal.F /build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F /build/reproducible-path/cp2k-8.1/src/mdctrl_types.F /build/reproducible-path/cp2k-8.1/src/cp2k_debug.F /build/reproducible-path/cp2k-8.1/src/qs_linres_issc_utils.F /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_methods.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_mixed.F /build/reproducible-path/cp2k-8.1/src/qs_elec_field.F /build/reproducible-path/cp2k-8.1/src/qs_o3c_methods.F /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_matrix_methods.F /build/reproducible-path/cp2k-8.1/src/qs_force_types.F /build/reproducible-path/cp2k-8.1/src/force_fields_ext.F /build/reproducible-path/cp2k-8.1/src/rpa_axk.F /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F /build/reproducible-path/cp2k-8.1/src/xas_control.F /build/reproducible-path/cp2k-8.1/src/qs_pdos.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_utils.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_rsgrid.F /build/reproducible-path/cp2k-8.1/src/qmmmx_types.F /build/reproducible-path/cp2k-8.1/src/xtb_matrices.F /build/reproducible-path/cp2k-8.1/src/minbas_wfn_analysis.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_geev.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_types.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_api.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_methods.F /build/reproducible-path/cp2k-8.1/src/almo_scf.F /build/reproducible-path/cp2k-8.1/src/molecular_dipoles.F /build/reproducible-path/cp2k-8.1/src/qs_ot_eigensolver.F /build/reproducible-path/cp2k-8.1/src/qmmm_types.F /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_types.F /build/reproducible-path/cp2k-8.1/src/kg_environment_types.F /build/reproducible-path/cp2k-8.1/src/pao_param_exp.F /build/reproducible-path/cp2k-8.1/src/mol_force.F /build/reproducible-path/cp2k-8.1/src/hfx_derivatives.F /build/reproducible-path/cp2k-8.1/src/qs_linres_current_utils.F /build/reproducible-path/cp2k-8.1/src/pair_potential.F /build/reproducible-path/cp2k-8.1/src/qs_gspace_mixing.F /build/reproducible-path/cp2k-8.1/src/basis_set_output.F /build/reproducible-path/cp2k-8.1/src/negf_green_methods.F /build/reproducible-path/cp2k-8.1/src/qs_elf_methods.F /build/reproducible-path/cp2k-8.1/src/response_solver.F /build/reproducible-path/cp2k-8.1/src/qs_active_space_types.F /build/reproducible-path/cp2k-8.1/src/preconditioner_apply.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_store_int_types.F /build/reproducible-path/cp2k-8.1/src/xtb_types.F /build/reproducible-path/cp2k-8.1/src/colvar_methods.F /build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F /build/reproducible-path/cp2k-8.1/src/embed_types.F /build/reproducible-path/cp2k-8.1/src/qs_collocate_density.F /build/reproducible-path/cp2k-8.1/src/cp_ddapc_methods.F /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/src/qs_fb_filter_matrix_methods.F /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_output.F /build/reproducible-path/cp2k-8.1/src/pao_ml.F /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_utils.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_kernel.F /build/reproducible-path/cp2k-8.1/src/dkh_main.F /build/reproducible-path/cp2k-8.1/src/manybody_potential.F /build/reproducible-path/cp2k-8.1/src/group_dist_types.F /build/reproducible-path/cp2k-8.1/src/exclusion_types.F /build/reproducible-path/cp2k-8.1/src/csvr_system_utils.F /build/reproducible-path/cp2k-8.1/src/replica_methods.F /build/reproducible-path/cp2k-8.1/src/mp2_cphf.F /build/reproducible-path/cp2k-8.1/src/mp2_laplace.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_utils.F /build/reproducible-path/cp2k-8.1/src/mixed_main.F /build/reproducible-path/cp2k-8.1/src/mm_collocate_potential.F /build/reproducible-path/cp2k-8.1/src/qs_energy.F /build/reproducible-path/cp2k-8.1/src/negf_integr_utils.F /build/reproducible-path/cp2k-8.1/src/localization_tb.F /build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F /build/reproducible-path/cp2k-8.1/src/hfx_load_balance_methods.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_dispersion.F /build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F /build/reproducible-path/cp2k-8.1/src/qs_overlap.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F /build/reproducible-path/cp2k-8.1/src/lri_ks_methods.F /build/reproducible-path/cp2k-8.1/src/mp2_ri_2c.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_utils.F /build/reproducible-path/cp2k-8.1/src/lri_integrals.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_poisson.F /build/reproducible-path/cp2k-8.1/src/qs_external_density.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_binary_restarts.F /build/reproducible-path/cp2k-8.1/src/qs_p_env_methods.F /build/reproducible-path/cp2k-8.1/src/pao_ml_gaussprocess.F /build/reproducible-path/cp2k-8.1/src/qs_grid_atom.F /build/reproducible-path/cp2k-8.1/src/transport.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_types.F /build/reproducible-path/cp2k-8.1/src/fist_energy_types.F /build/reproducible-path/cp2k-8.1/src/preconditioner.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_motion_print.F /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag.F /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_types.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_struct.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_types.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_vect.F /build/reproducible-path/cp2k-8.1/src/fm/cp_linked_list_fm.F /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_diag.F /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_env.F /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_calls.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag_utils.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_pool_types.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_cholesky.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_basic_linalg.F /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_elpa.F /build/reproducible-path/cp2k-8.1/src/mp2_eri_gpw.F /build/reproducible-path/cp2k-8.1/src/qs_moments.F /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_dbg.F /build/reproducible-path/cp2k-8.1/src/qs_force.F /build/reproducible-path/cp2k-8.1/src/linesearch.F /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_ownutils.F /build/reproducible-path/cp2k-8.1/src/subcell_types.F /build/reproducible-path/cp2k-8.1/src/distribution_2d_types.F /build/reproducible-path/cp2k-8.1/src/qs_outer_scf.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_restarts_util.F /build/reproducible-path/cp2k-8.1/src/optimize_input.F /build/reproducible-path/cp2k-8.1/src/admm_types.F /build/reproducible-path/cp2k-8.1/src/negf_integr_cc.F /build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_operators.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_almo.F /build/reproducible-path/cp2k-8.1/src/qs_ks_types.F /build/reproducible-path/cp2k-8.1/src/qs_linres_module.F /build/reproducible-path/cp2k-8.1/src/force_env_types.F /build/reproducible-path/cp2k-8.1/src/xtb_ehess.F /build/reproducible-path/cp2k-8.1/src/qs_nl_hash_table_types.F /build/reproducible-path/cp2k-8.1/src/ct_types.F /build/reproducible-path/cp2k-8.1/src/statistical_methods.F /build/reproducible-path/cp2k-8.1/src/task_list_methods.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_types.F /build/reproducible-path/cp2k-8.1/src/qs_matrix_pools.F /build/reproducible-path/cp2k-8.1/src/pilaenv_hack.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_kpoints.F /build/reproducible-path/cp2k-8.1/src/atom_output.F /build/reproducible-path/cp2k-8.1/src/qs_diis.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_embed.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_integrals.F /build/reproducible-path/cp2k-8.1/src/qs_interactions.F /build/reproducible-path/cp2k-8.1/src/topology_xtl.F /build/reproducible-path/cp2k-8.1/src/qs_linres_methods.F /build/reproducible-path/cp2k-8.1/src/wannier_states_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_neb.F /build/reproducible-path/cp2k-8.1/src/atom_sgp.F /build/reproducible-path/cp2k-8.1/src/negf_green_cache.F /build/reproducible-path/cp2k-8.1/src/xc_pot_saop.F /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_epr_common_utils.F /build/reproducible-path/cp2k-8.1/src/start/libcp2k.F /build/reproducible-path/cp2k-8.1/src/start/input_cp2k_motion.F /build/reproducible-path/cp2k-8.1/src/start/cp2k_runs.F /build/reproducible-path/cp2k-8.1/src/start/cp2k.F /build/reproducible-path/cp2k-8.1/src/start/input_cp2k.F /build/reproducible-path/cp2k-8.1/src/start/cp2k_shell.F /build/reproducible-path/cp2k-8.1/src/external_potential_methods.F /build/reproducible-path/cp2k-8.1/src/cp_ddapc.F /build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F /build/reproducible-path/cp2k-8.1/src/negf_matrix_utils.F /build/reproducible-path/cp2k-8.1/src/qs_ot_scf.F /build/reproducible-path/cp2k-8.1/src/qmmm_tb_coulomb.F /build/reproducible-path/cp2k-8.1/src/qs_loc_types.F /build/reproducible-path/cp2k-8.1/src/wannier_states.F /build/reproducible-path/cp2k-8.1/src/ri_environment_methods.F /build/reproducible-path/cp2k-8.1/src/iterate_matrix.F /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_control.F /build/reproducible-path/cp2k-8.1/src/qmmm_se_forces.F /build/reproducible-path/cp2k-8.1/src/fermi_utils.F /build/reproducible-path/cp2k-8.1/src/topology_xyz.F /build/reproducible-path/cp2k-8.1/src/qs_energy_matrix_w.F /build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F /build/reproducible-path/cp2k-8.1/src/pao_param.F /build/reproducible-path/cp2k-8.1/src/xas_env_types.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_qs.F /build/reproducible-path/cp2k-8.1/src/csvr_system_types.F /build/reproducible-path/cp2k-8.1/src/voronoi_interface.F /build/reproducible-path/cp2k-8.1/src/qs_linres_types.F /build/reproducible-path/cp2k-8.1/src/taper_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_eip.F /build/reproducible-path/cp2k-8.1/src/atom.F /build/reproducible-path/cp2k-8.1/src/qs_rho_types.F /build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F /build/reproducible-path/cp2k-8.1/src/optbas_fenv_manipulation.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_methods.F /build/reproducible-path/cp2k-8.1/src/mp2_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/src/qs_dispersion_types.F /build/reproducible-path/cp2k-8.1/src/ec_environment.F /build/reproducible-path/cp2k-8.1/src/negf_alloc_types.F /build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F /build/reproducible-path/cp2k-8.1/src/qs_scf_wfn_mix.F /build/reproducible-path/cp2k-8.1/src/rt_propagation_forces.F /build/reproducible-path/cp2k-8.1/src/topology.F /build/reproducible-path/cp2k-8.1/src/qmmm_create.F /build/reproducible-path/cp2k-8.1/src/bsse.F /build/reproducible-path/cp2k-8.1/src/fist_nonbond_env_types.F /build/reproducible-path/cp2k-8.1/src/qs_scf_methods.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F /build/reproducible-path/cp2k-8.1/src/qs_sccs.F /build/reproducible-path/cp2k-8.1/src/hfx_compression_methods.F /build/reproducible-path/cp2k-8.1/src/qs_ks_methods.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_eigensolver.F /build/reproducible-path/cp2k-8.1/src/et_coupling.F /build/reproducible-path/cp2k-8.1/src/qs_local_rho_types.F /build/reproducible-path/cp2k-8.1/src/atom_energy.F /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_types.F /build/reproducible-path/cp2k-8.1/src/spme.F /build/reproducible-path/cp2k-8.1/src/xray_diffraction.F /build/reproducible-path/cp2k-8.1/src/fist_force.F /build/reproducible-path/cp2k-8.1/src/eip_environment_types.F /build/reproducible-path/cp2k-8.1/src/qs_update_s_mstruct.F /build/reproducible-path/cp2k-8.1/src/pao_optimizer.F /build/reproducible-path/cp2k-8.1/src/negf_methods.F /build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F /build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F /build/reproducible-path/cp2k-8.1/src/pao_potentials.F /build/reproducible-path/cp2k-8.1/src/qmmmx_util.F /build/reproducible-path/cp2k-8.1/src/qs_mom_methods.F /build/reproducible-path/cp2k-8.1/src/core_ppnl.F /build/reproducible-path/cp2k-8.1/src/qs_environment.F /build/reproducible-path/cp2k-8.1/src/hfx_helpers.F /build/reproducible-path/cp2k-8.1/src/almo_scf_env_methods.F /build/reproducible-path/cp2k-8.1/src/ewald_pw_methods.F /build/reproducible-path/cp2k-8.1/src/qmmm_links_methods.F /build/reproducible-path/cp2k-8.1/src/efield_tb_methods.F /build/reproducible-path/cp2k-8.1/src/pao_param_gth.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_properties.F /build/reproducible-path/cp2k-8.1/src/topology_gromos.F /build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F /build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F /build/reproducible-path/cp2k-8.1/src/cp_eri_mme_interface.F /build/reproducible-path/cp2k-8.1/src/qs_integral_utils.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_ls.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_util.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_gaussian.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_error_control.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_integrate.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_types.F /build/reproducible-path/cp2k-8.1/src/mp2.F /build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F /build/reproducible-path/cp2k-8.1/src/qs_loc_states.F /build/reproducible-path/cp2k-8.1/src/qs_chargemol.F /build/reproducible-path/cp2k-8.1/src/pao_param_linpot.F /build/reproducible-path/cp2k-8.1/src/topology_amber.F /build/reproducible-path/cp2k-8.1/src/commutator_rpnl.F /build/reproducible-path/cp2k-8.1/src/negf_vectors.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_matrices.F /build/reproducible-path/cp2k-8.1/src/mixed_environment_utils.F /build/reproducible-path/cp2k-8.1/src/qs_band_structure.F /build/reproducible-path/cp2k-8.1/src/qs_energy_window.F /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_qmmm.F /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_methods.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F /build/reproducible-path/cp2k-8.1/src/nnp_force.F /build/reproducible-path/cp2k-8.1/src/fist_environment_types.F /build/reproducible-path/cp2k-8.1/src/topology_psf.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_types.F /build/reproducible-path/cp2k-8.1/src/bse.F /build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F /build/reproducible-path/cp2k-8.1/src/replica_types.F /build/reproducible-path/cp2k-8.1/src/domain_submatrix_methods.F /build/reproducible-path/cp2k-8.1/src/atom_upf.F /build/reproducible-path/cp2k-8.1/src/manybody_siepmann.F /build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F /build/reproducible-path/cp2k-8.1/src/qs_mo_methods.F /build/reproducible-path/cp2k-8.1/src/molecular_states.F /build/reproducible-path/cp2k-8.1/src/pw_poisson_read_input.F /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_product.F /build/reproducible-path/cp2k-8.1/src/libint_2c_3c.F /build/reproducible-path/cp2k-8.1/src/hartree_local_methods.F /build/reproducible-path/cp2k-8.1/src/qs_fb_hash_table_types.F /build/reproducible-path/cp2k-8.1/src/negf_integr_simpson.F /build/reproducible-path/cp2k-8.1/src/mixed_energy_types.F /build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F /build/reproducible-path/cp2k-8.1/src/environment.F /build/reproducible-path/cp2k-8.1/src/pao_io.F /build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F /build/reproducible-path/cp2k-8.1/src/qmmm_se_energy.F /build/reproducible-path/cp2k-8.1/src/pao_methods.F /build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F /build/reproducible-path/cp2k-8.1/src/dft_plus_u.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_types.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_free_energy.F /build/reproducible-path/cp2k-8.1/src/rpa_im_time.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.F /build/reproducible-path/cp2k-8.1/src/moments_utils.F /build/reproducible-path/cp2k-8.1/src/input_optimize_basis.F /build/reproducible-path/cp2k-8.1/src/qs_diis_types.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_integrals.F /build/reproducible-path/cp2k-8.1/src/topology_types.F /build/reproducible-path/cp2k-8.1/src/splines_methods.F /build/reproducible-path/cp2k-8.1/src/fist_pol_scf.F /build/reproducible-path/cp2k-8.1/src/qs_core_hamiltonian.F /build/reproducible-path/cp2k-8.1/src/qs_environment_types.F /build/reproducible-path/cp2k-8.1/src/preconditioner_types.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_utils.F /build/reproducible-path/cp2k-8.1/src/global_types.F /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_halo_types.F /build/reproducible-path/cp2k-8.1/src/qs_fb_input.F /build/reproducible-path/cp2k-8.1/src/eip_silicon.F /build/reproducible-path/cp2k-8.1/src/cp_symmetry.F /build/reproducible-path/cp2k-8.1/src/topology_coordinate_util.F /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_shift.F /build/reproducible-path/cp2k-8.1/src/qs_resp.F /build/reproducible-path/cp2k-8.1/src/farming_types.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_types.F /build/reproducible-path/cp2k-8.1/src/qs_dftb_types.F /build/reproducible-path/cp2k-8.1/src/pao_types.F /build/reproducible-path/cp2k-8.1/src/fist_efield_types.F /build/reproducible-path/cp2k-8.1/src/nnp_acsf.F /build/reproducible-path/cp2k-8.1/src/stm_images.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_utils.F /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_eigensolver.F /build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F /build/reproducible-path/cp2k-8.1/src/wannier90.F /build/reproducible-path/cp2k-8.1/src/qs_scf_output.F /build/reproducible-path/cp2k-8.1/src/qmmmx_create.F /build/reproducible-path/cp2k-8.1/src/grid/grid_api.F /build/reproducible-path/cp2k-8.1/src/mp2_eri.F /build/reproducible-path/cp2k-8.1/src/se_core_matrix.F /build/reproducible-path/cp2k-8.1/src/mixed_environment_types.F /build/reproducible-path/cp2k-8.1/src/qs_rho_methods.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis_types.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_messages.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_utils.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_types.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_acceptance.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_stati.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_cancelation.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_references.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_handle.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_worker.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_master.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_types.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_calculations.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_search.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_file_io.F /build/reproducible-path/cp2k-8.1/src/tmc/input_cp2k_tmc.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_moves.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_types.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_build.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_setup.F /build/reproducible-path/cp2k-8.1/src/tmc/tmc_dot_tree.F /build/reproducible-path/cp2k-8.1/src/admm_utils.F /build/reproducible-path/cp2k-8.1/src/topology_cp2k.F /build/reproducible-path/cp2k-8.1/src/commutator_rkinetic.F /build/reproducible-path/cp2k-8.1/src/restraint.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_nnp.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_resp.F /build/reproducible-path/cp2k-8.1/src/subsys/force_field_kind_types.F /build/reproducible-path/cp2k-8.1/src/subsys/particle_list_types.F /build/reproducible-path/cp2k-8.1/src/subsys/multipole_types.F /build/reproducible-path/cp2k-8.1/src/subsys/molecule_list_types.F /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_list_types.F /build/reproducible-path/cp2k-8.1/src/subsys/shell_potential_types.F /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_types.F /build/reproducible-path/cp2k-8.1/src/subsys/cell_types.F /build/reproducible-path/cp2k-8.1/src/subsys/atprop_types.F /build/reproducible-path/cp2k-8.1/src/subsys/particle_types.F /build/reproducible-path/cp2k-8.1/src/subsys/molecule_types.F /build/reproducible-path/cp2k-8.1/src/subsys/cp_subsys_types.F /build/reproducible-path/cp2k-8.1/src/subsys/virial_types.F /build/reproducible-path/cp2k-8.1/src/subsys/external_potential_types.F /build/reproducible-path/cp2k-8.1/src/subsys/colvar_types.F /build/reproducible-path/cp2k-8.1/src/subsys/damping_dipole_types.F /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_types.F /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_list_types.F /build/reproducible-path/cp2k-8.1/src/mp2_grids.F /build/reproducible-path/cp2k-8.1/src/almo_scf_types.F /build/reproducible-path/cp2k-8.1/src/qs_energy_utils.F /build/reproducible-path/cp2k-8.1/src/atom_fit.F /build/reproducible-path/cp2k-8.1/src/nnp_environment_types.F /build/reproducible-path/cp2k-8.1/src/qs_fb_trial_fns_types.F /build/reproducible-path/cp2k-8.1/src/qs_neighbor_lists.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_loc.F /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals.F /build/reproducible-path/cp2k-8.1/src/shg_int/constants_operator.F /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F /build/reproducible-path/cp2k-8.1/src/shg_int/construct_shg.F /build/reproducible-path/cp2k-8.1/src/shg_int/s_contract_shg.F /build/reproducible-path/cp2k-8.1/src/fist_efield_methods.F /build/reproducible-path/cp2k-8.1/src/topology_pdb.F /build/reproducible-path/cp2k-8.1/src/qs_loc_dipole.F /build/reproducible-path/cp2k-8.1/src/qs_scf_post_gpw.F /build/reproducible-path/cp2k-8.1/src/qs_mo_io.F /build/reproducible-path/cp2k-8.1/src/hartree_local_types.F /build/reproducible-path/cp2k-8.1/src/virial_methods.F /build/reproducible-path/cp2k-8.1/src/qs_kinetic.F /build/reproducible-path/cp2k-8.1/src/fist_main.F /build/reproducible-path/cp2k-8.1/src/qs_loc_molecules.F /build/reproducible-path/cp2k-8.1/src/pair_potential_util.F /build/reproducible-path/cp2k-8.1/src/qs_scf_diagonalization.F /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/src/metadynamics.F /build/reproducible-path/cp2k-8.1/src/qs_scf_post_tb.F /build/reproducible-path/cp2k-8.1/src/ec_efield_local.F /build/reproducible-path/cp2k-8.1/src/qs_kind_types.F /build/reproducible-path/cp2k-8.1/src/cp_ddapc_util.F /build/reproducible-path/cp2k-8.1/src/mscfg_methods.F /build/reproducible-path/cp2k-8.1/src/qs_fb_env_methods.F /build/reproducible-path/cp2k-8.1/src/kpoint_methods.F /build/reproducible-path/cp2k-8.1/src/qs_gapw_densities.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_mm.F /build/reproducible-path/cp2k-8.1/src/xas_tdp_utils.F /build/reproducible-path/cp2k-8.1/src/atom_admm_methods.F /build/reproducible-path/cp2k-8.1/src/mao_methods.F /build/reproducible-path/cp2k-8.1/src/qs_cdft_scf_utils.F /build/reproducible-path/cp2k-8.1/src/negf_control_types.F /build/reproducible-path/cp2k-8.1/src/cp_gemm_interface.F /build/reproducible-path/cp2k-8.1/src/libint_wrapper.F /build/reproducible-path/cp2k-8.1/src/input_cp2k_properties_dft.F /build/reproducible-path/cp2k-8.1/src/qs_hash_table_functions.F /build/reproducible-path/cp2k-8.1/src/population_analyses.F /build/reproducible-path/cp2k-8.1/src/pw/fpga/fft_fpga.c /build/reproducible-path/cp2k-8.1/src/pw/fpga/opencl_utils.c /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.c /build/reproducible-path/cp2k-8.1/src/sockets.c /build/reproducible-path/cp2k-8.1/src/start/libcp2k_unittest.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_integrate_dgemm.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.c /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.c /build/reproducible-path/cp2k-8.1/src/grid/grid_miniapp.c /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.c /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.c /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.c /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.c /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_collocate_hybrid.c /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_integrate_hybrid.c /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.c /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.c /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.c /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.c /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.c /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.c /build/reproducible-path/cp2k-8.1/src/grid/grid_unittest.c /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/reproducible-path/cp2k-8.1/src/common/sort_m.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/base/machine_posix.f90 /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.f90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table.f90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table_types.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_args.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_manipulation.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_selection.f90 /build/reproducible-path/cp2k-8.1/src/call_integrate.f90 /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/reproducible-path/cp2k-8.1/src/pw/cuda/fft_cuda.h /build/reproducible-path/cp2k-8.1/src/pw/cuda/fft_cuda_internal.h /build/reproducible-path/cp2k-8.1/src/pw/cuda/pw_cuda.h /build/reproducible-path/cp2k-8.1/src/pw/cuda/fft_cuda_utils.h /build/reproducible-path/cp2k-8.1/src/pw/cuda/pw_cuda_utils.h /build/reproducible-path/cp2k-8.1/src/pw/fpga/opencl_utils.h /build/reproducible-path/cp2k-8.1/src/pw/fpga/fft_fpga.h /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.h /build/reproducible-path/cp2k-8.1/src/start/libcp2k.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_prepare_pab.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_process_vab.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_collint.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_collocate.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_integrate.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_collocate_hybrid.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/hybrid_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_integrate_cuda.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collint.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.h /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-8.1/src/minimax/PACKAGE /build/reproducible-path/cp2k-8.1/src/pw/cuda/PACKAGE /build/reproducible-path/cp2k-8.1/src/pw/fpga/PACKAGE /build/reproducible-path/cp2k-8.1/src/pw/PACKAGE /build/reproducible-path/cp2k-8.1/src/pw/fft/PACKAGE /build/reproducible-path/cp2k-8.1/src/aobasis/PACKAGE /build/reproducible-path/cp2k-8.1/src/swarm/PACKAGE /build/reproducible-path/cp2k-8.1/src/input/PACKAGE /build/reproducible-path/cp2k-8.1/src/common/PACKAGE /build/reproducible-path/cp2k-8.1/src/base/PACKAGE /build/reproducible-path/cp2k-8.1/src/mpiwrap/PACKAGE /build/reproducible-path/cp2k-8.1/src/dbcsrx/PACKAGE /build/reproducible-path/cp2k-8.1/src/metadyn_tools/PACKAGE /build/reproducible-path/cp2k-8.1/src/motion/PACKAGE /build/reproducible-path/cp2k-8.1/src/motion/thermostat/PACKAGE /build/reproducible-path/cp2k-8.1/src/motion/mc/PACKAGE /build/reproducible-path/cp2k-8.1/src/xc/PACKAGE /build/reproducible-path/cp2k-8.1/src/hfxbase/PACKAGE /build/reproducible-path/cp2k-8.1/src/pw_env/PACKAGE /build/reproducible-path/cp2k-8.1/src/emd/PACKAGE /build/reproducible-path/cp2k-8.1/src/arnoldi/PACKAGE /build/reproducible-path/cp2k-8.1/src/fm/PACKAGE /build/reproducible-path/cp2k-8.1/src/PACKAGE /build/reproducible-path/cp2k-8.1/src/start/PACKAGE /build/reproducible-path/cp2k-8.1/src/eri_mme/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/cpu/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/common/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/gpu/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/hybrid/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/ref/PACKAGE /build/reproducible-path/cp2k-8.1/src/grid/PACKAGE /build/reproducible-path/cp2k-8.1/src/tmc/PACKAGE /build/reproducible-path/cp2k-8.1/src/subsys/PACKAGE /build/reproducible-path/cp2k-8.1/src/shg_int/PACKAGE dirs echo "Removing stale archives for psmp ... " Removing stale archives for psmp ... -/build/reproducible-path/cp2k-8.1/tools/build_utils/check_archives.py ar /build/reproducible-path/cp2k-8.1/src /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp +/build/reproducible-path/cp2k-8.1/tools/build_utils/check_archives.py ar /build/reproducible-path/cp2k-8.1/src /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp echo "Resolving dependencies for psmp ... " Resolving dependencies for psmp ... -/build/reproducible-path/cp2k-8.1/tools/build_utils/makedep.py /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/all.dep cp2k "lower" "normal" .a /build/reproducible-path/cp2k-8.1/src ./qs_integrate_potential.F ./stm_images.F ./sap_kind_types.F ./rel_control_types.F ./xas_tdp_types.F ./negf_integr_utils.F ./qmmm_gpw_forces.F ./atoms_input.F ./qs_fb_atomic_halo_types.F ./qs_linres_polar_utils.F ./dm_ls_scf_create.F ./semi_empirical_int_debug.F ./pao_main.F ./embed_main.F ./mscfg_methods.F ./pao_methods.F ./qs_fb_distribution_methods.F ./qs_force.F ./mp2.F ./mao_methods.F ./manybody_potential.F ./atom_grb.F ./input_cp2k_atom.F ./input_cp2k_dft.F ./atom_pseudo.F ./xc_write_output.F ./paw_proj_set_types.F ./optimize_basis_types.F ./atom.F ./qs_dispersion_types.F ./qs_dispersion_nonloc.F ./lri_ks_methods.F ./qs_scf.F ./qs_wf_history_methods.F ./qs_scf_post_scf.F ./force_env_methods.F ./qs_dispersion_pairpot.F ./qs_energy.F ./pao_linpot_full.F ./beta_gamma_psi.F ./input_cp2k_external.F ./input_cp2k_mp2.F ./qs_cdft_opt_types.F ./optimize_input.F ./ipi_driver.F ./xc/xc_vwn.F ./xc/xc_tfw.F ./xc/cp_linked_list_xc_deriv.F ./xc/xc_functionals_utilities.F ./xc/xc_xpbe_hole_t_c_lr.F ./xc/xc_thomas_fermi.F ./xc/xc_hcth.F ./xc/xc_derivatives.F ./xc/xc_derivative_types.F ./xc/xc_xbecke_roussel.F ./xc/xc_xbr_pbe_lda_hole_t_c_lr.F ./xc/xc_lyp_adiabatic.F ./xc/xc_derivative_set_types.F ./xc/xc_perdew_zunger.F ./xc/xc_input_constants.F ./xc/xc_xwpbe.F ./xc/xc_rho_set_types.F ./xc/xc_perdew86.F ./xc/xc_perdew_wang.F ./xc/xc_derivative_desc.F ./xc/xc_ke_gga.F ./xc/xc_exchange_gga.F ./xc/xc_xbeef.F ./xc/xc_xbecke88_lr_adiabatic.F ./xc/xc_sr_lda.F ./xc/xc_atom.F ./xc/xc_tpss.F ./xc/xc_xbecke88_long_range.F ./xc/xc_xbecke88.F ./xc/xc_optx.F ./xc/xc_b97.F ./xc/xc_rho_cflags_types.F ./xc/xc_cs1.F ./xc/xc_xlda_hole_t_c_lr.F ./xc/xc_pbe.F ./xc/xc_xalpha.F ./xc/xc_libxc_wrap.F ./xc/xc_libxc.F ./xc/xc.F ./xc/xc_pade.F ./xc/xc_lyp.F ./qs_tddfpt_types.F ./gle_system_types.F ./mp2_optimize_ri_basis.F ./ec_efield_local.F ./integration_grid_types.F ./mode_selective.F ./input_cp2k_mixed.F ./optimize_basis_utils.F ./qs_rho0_methods.F ./mao_basis.F ./semi_empirical_int_ana.F ./restraint.F ./wannier90.F ./kpoint_io.F ./qs_tensors.F ./input/cp_parser_inpp_types.F ./input/input_parsing.F ./input/input_enumeration_types.F ./input/cp_parser_ilist_types.F ./input/cp_output_handling.F ./input/cp_parser_buffer_types.F ./input/cp_parser_types.F ./input/cp_parser_methods.F ./input/cp_linked_list_input.F ./input/input_section_types.F ./input/input_val_types.F ./input/cp_parser_ilist_methods.F ./input/cp_parser_status_types.F ./input/input_keyword_types.F ./input/cp_parser_inpp_methods.F ./qs_energy_utils.F ./pao_types.F ./hfx_ri.F ./qs_external_density.F ./mao_optimizer.F ./fist_neighbor_lists.F ./common/memory_utilities.F ./common/kahan_sum.F ./common/cp_array_utils.F ./common/d3_poly.F ./common/structure_factor_types.F ./common/cp_result_types.F ./common/cp_units.F ./common/mathconstants.F ./common/spherical_harmonics.F ./common/cp_para_types.F ./common/timings_types.F ./common/memory_utilities_unittest.F ./common/lapack.F ./common/whittaker.F ./common/parallel_rng_types.F ./common/timings_report.F ./common/parallel_rng_types_unittest.F ./common/cp_files.F ./common/powell.F ./common/util.F ./common/list_routinereport.F ./common/cp_result_methods.F ./common/cg_test.F ./common/t_c_g0.F ./common/cp_iter_types.F ./common/cp_error_handling.F ./common/t_sh_p_s_c.F ./common/mathlib.F ./common/timings_base_type.F ./common/bibliography.F ./common/list_routinestat.F ./common/routine_map.F ./common/lebedev.F ./common/cp_para_env.F ./common/cp_log_handling.F ./common/bessel_lib.F ./common/periodic_table.F ./common/list_callstackentry.F ./common/splines.F ./common/distribution_1d_types.F ./common/eigenvalueproblems.F ./common/structure_factors.F ./common/callgraph.F ./common/timings.F ./common/cp_min_heap.F ./common/fparser.F ./common/print_messages.F ./common/cuda_profiling.F ./common/list_timerenv.F ./common/linear_systems.F ./common/physcon.F ./common/string_utilities.F ./common/reference_manager.F ./common/cp_array_sort.F ./common/list.F ./common/gamma.F ./common/string_table.F ./qs_collocate_density.F ./rpa_gw_kpoints.F ./pao_io.F ./mixed_cdft_types.F ./qs_subsys_methods.F ./qs_linres_nmr_utils.F ./fist_force.F ./shg_integrals_test.F ./cp_realspace_grid_init.F ./ls_matrix_exp.F ./dm_ls_scf_qs.F ./maxwell_solver_interface.F ./qs_vxc_atom.F ./graphcon.F ./fist_neighbor_list_types.F ./xc_adiabatic_methods.F ./qs_fb_trial_fns_types.F ./global_types.F ./input_cp2k_loc.F ./rpa_gw.F ./pexsi_interface.F ./qs_linres_types.F ./qs_gcp_utils.F ./efield_utils.F ./constraint_clv.F ./semi_empirical_types.F ./mp2_ri_libint.F ./pao_param_linpot.F ./cp_dbcsr_diag.F ./pao_ml_gaussprocess.F ./mp2_ri_grad.F ./cp_gemm_interface.F ./eri_mme/eri_mme_test.F ./eri_mme/eri_mme_gaussian.F ./eri_mme/eri_mme_types.F ./eri_mme/eri_mme_lattice_summation.F ./eri_mme/eri_mme_integrate.F ./eri_mme/eri_mme_util.F ./eri_mme/eri_mme_error_control.F ./qs_efield_berry.F ./rt_propagation_types.F ./qs_moments.F ./tmc/tmc_analysis_types.F ./tmc/tmc_tree_build.F ./tmc/tmc_tree_types.F ./tmc/tmc_file_io.F ./tmc/tmc_messages.F ./tmc/tmc_stati.F ./tmc/tmc_calculations.F ./tmc/input_cp2k_tmc.F ./tmc/tmc_types.F ./tmc/tmc_analysis.F ./tmc/tmc_worker.F ./tmc/tmc_move_types.F ./tmc/tmc_setup.F ./tmc/tmc_master.F ./tmc/tmc_cancelation.F ./tmc/tmc_tree_acceptance.F ./tmc/tmc_dot_tree.F ./tmc/tmc_moves.F ./tmc/tmc_utils.F ./tmc/tmc_tree_search.F ./tmc/tmc_tree_references.F ./tmc/tmc_move_handle.F ./atom_operators.F ./qs_neighbor_lists.F ./qs_local_rho_types.F ./nnp_model.F ./force_env_types.F ./subcell_types.F ./rtp_admm_methods.F ./environment.F ./qs_scf_output.F ./xas_tdp_correction.F ./qs_condnum.F ./outer_scf_control_types.F ./force_fields_util.F ./cp_control_utils.F ./kpoint_types.F ./input_optimize_basis.F ./commutator_rpnl.F ./qs_integrate_potential_product.F ./pair_potential.F ./grid/grid_api.F ./qs_linres_atom_current.F ./input_cp2k_ec.F ./qs_dftb_types.F ./input_cp2k_properties_dft.F ./splines_types.F ./library_tests.F ./admm_utils.F ./pw_poisson_read_input.F ./manybody_tersoff.F ./input_cp2k_read.F ./taper_types.F ./admm_dm_methods.F ./voronoi_interface.F ./qs_external_potential.F ./qs_ks_methods.F ./qmmm_se_energy.F ./ewald_methods_tb.F ./qs_period_efield_types.F ./se_fock_matrix_exchange.F ./free_energy_types.F ./input_cp2k_eip.F ./qs_harmonics_atom.F ./atom_xc.F ./qs_cdft_utils.F ./commutator_rkinetic.F ./topology_xtl.F ./fp_types.F ./manybody_quip.F ./input_cp2k_free_energy.F ./rpa_util.F ./force_field_types.F ./qs_tddfpt2_operators.F ./mao_wfn_analysis.F ./optimize_embedding_potential.F ./xtb_ehess.F ./pw/pw_grids.F ./pw/dielectric_types.F ./pw/lazy.F ./pw/pw_methods.F ./pw/fft/fftw3_lib.F ./pw/fft/fftsg_lib.F ./pw/fft/fft_plan.F ./pw/fft/fft_lib.F ./pw/fft/mltfftsg_tools.F ./pw/fft/fft_kinds.F ./pw/cube_utils.F ./pw/ps_wavelet_scaling_function.F ./pw/rs_methods.F ./pw/dirichlet_bc_types.F ./pw/ps_implicit_types.F ./pw/ps_wavelet_types.F ./pw/pw_fpga.F ./pw/dielectric_methods.F ./pw/ps_wavelet_util.F ./pw/fast.F ./pw/ps_wavelet_base.F ./pw/pw_cuda.F ./pw/pw_grid_info.F ./pw/mt_util.F ./pw/ps_implicit_methods.F ./pw/dgs.F ./pw/dct.F ./pw/pw_poisson_methods.F ./pw/dirichlet_bc_methods.F ./pw/pw_grid_types.F ./pw/dg_types.F ./pw/pw_spline_utils.F ./pw/fft_tools.F ./pw/realspace_grid_cube.F ./pw/dg_rho0_types.F ./pw/realspace_grid_types.F ./pw/ps_wavelet_methods.F ./pw/cp_linked_list_pw.F ./pw/pw_pool_types.F ./pw/ps_wavelet_kernel.F ./pw/ps_wavelet_fft3d.F ./pw/pw_types.F ./pw/pw_poisson_types.F ./qs_rho_methods.F ./qs_tddfpt2_eigensolver.F ./qmmm_gpw_energy.F ./ec_environment.F ./ri_environment_methods.F ./qs_dftb_utils.F ./topology_amber.F ./lri_forces.F ./qs_loc_types.F ./dm_ls_scf_types.F ./libint_wrapper.F ./qs_initial_guess.F ./preconditioner.F ./fist_pol_scf.F ./input_cp2k_atprop.F ./cp2k_info.F ./kpoint_coulomb_2c.F ./qs_kpp1_env_types.F ./embed_environment.F ./qs_localization_methods.F ./qs_dispersion_utils.F ./manybody_siepmann.F ./dm_ls_scf_curvy.F ./qs_mom_types.F ./input_cp2k_resp.F ./motion_utils.F ./hfx_energy_potential.F ./qmmm_topology_util.F ./input_restart_rng.F ./qs_gcp_method.F ./colvar_utils.F ./qmmm_per_elpot.F ./mp2_types.F ./atom_fit.F ./qmmm_tb_methods.F ./qmmm_util.F ./input_cp2k_check.F ./cp_dbcsr_output.F ./qs_neighbor_list_types.F ./pair_potential_types.F ./wannier_states.F ./xas_env_types.F ./cp2k_debug.F ./qs_linres_op.F ./localization_tb.F ./input_cp2k_hfx.F ./negf_alloc_types.F ./semi_empirical_int_arrays.F ./qs_tddfpt2_densities.F ./negf_atom_map.F ./qs_scf_post_tb.F ./input_cp2k_motion_print.F ./rpa_im_time.F ./replica_types.F ./se_core_matrix.F ./hfx_derivatives.F ./qmmmx_types.F ./qmmm_types_low.F ./swarm/glbopt_mincrawl.F ./swarm/glbopt_minhop.F ./swarm/swarm_input.F ./swarm/swarm_message.F ./swarm/swarm_mpi.F ./swarm/glbopt_worker.F ./swarm/swarm.F ./swarm/swarm_worker.F ./swarm/glbopt_input.F ./swarm/glbopt_master.F ./swarm/glbopt_history.F ./swarm/swarm_master.F ./qs_p_env_methods.F ./qs_core_energies.F ./qs_fb_matrix_data_types.F ./input_cp2k_restarts_util.F ./qs_kpp1_env_methods.F ./debug_os_integrals.F ./semi_empirical_mpole_types.F ./qs_scf_loop_utils.F ./topology_cif.F ./cp_dbcsr_cholesky.F ./surface_dipole.F ./qs_ks_qmmm_methods.F ./qs_update_s_mstruct.F ./submatrix_types.F ./qs_rho_types.F ./qs_energy_window.F ./kg_correction.F ./manybody_eam.F ./pao_param_gth.F ./distribution_methods.F ./pilaenv_hack.F ./optbas_fenv_manipulation.F ./input_cp2k_field.F ./topology_input.F ./xas_methods.F ./atom_utils.F ./qs_scf_initialization.F ./negf_control_types.F ./qs_fb_hash_table_types.F ./input_cp2k_thermostats.F ./manybody_gal.F ./ct_types.F ./ewald_spline_util.F ./cp_dbcsr_cp2k_link.F ./fist_neighbor_list_control.F ./xc_adiabatic_utils.F ./qs_spin_orbit.F ./qs_dftb3_methods.F ./hfx_compression_methods.F ./semi_empirical_parameters.F ./constraint.F ./transport.F ./splines_methods.F ./qs_linres_nmr_epr_common_utils.F ./group_dist_types.F ./qs_cdft_methods.F ./input_cp2k_poisson.F ./pme.F ./almo_scf_env_methods.F ./qs_grid_atom.F ./qmmm_tb_coulomb.F ./almo_scf_lbfgs_types.F ./minbas_methods.F ./qs_fb_input.F ./qs_charge_mixing.F ./qmmm_force.F ./hfx_libint_interface.F ./topology_gromos.F ./ewald_environment_types.F ./qs_vxc.F ./admm_types.F ./input_constants.F ./topology_cp2k.F ./nnp_environment.F ./metadyn_tools/graph_utils.F ./metadyn_tools/graph.F ./metadyn_tools/graph_methods.F ./negf_matrix_utils.F ./population_analyses.F ./hfx_admm_utils.F ./mp2_gpw.F ./qs_linres_current.F ./atom_admm_methods.F ./xas_control.F ./qs_matrix_pools.F ./input_cp2k_negf.F ./et_coupling_types.F ./qs_integral_utils.F ./fist_nonbond_force.F ./extended_system_types.F ./input_cp2k_binary_restarts.F ./qs_tddfpt2_utils.F ./mixed_cdft_utils.F ./libint_2c_3c.F ./ec_env_types.F ./xtb_parameters.F ./rpa_gw_im_time_util.F ./qs_linres_module.F ./input_cp2k_constraints.F ./qmmm_init.F ./qmmmx_util.F ./negf_green_methods.F ./se_fock_matrix_dbg.F ./molden_utils.F ./qs_ot.F ./mixed_environment_types.F ./exclusion_types.F ./qs_efield_local.F ./atomic_charges.F ./negf_methods.F ./input_restart_force_eval.F ./qs_basis_gradient.F ./semi_empirical_integrals.F ./core_ae.F ./mscfg_types.F ./atom_kind_orbitals.F ./input_cp2k_distribution.F ./minimax/minimax_exp.F ./minimax/minimax_exp_gw.F ./minimax/minimax_rpa.F ./minimax/minimax_exp_k15.F ./minimax/minimax_exp_k53.F ./cryssym.F ./al_system_types.F ./mp2_gpw_method.F ./cp_ddapc_types.F ./matrix_exp.F ./optbas_opt_utils.F ./mp2_ri_grad_util.F ./cp_subsys_methods.F ./se_core_core.F ./qs_linres_epr_nablavks.F ./qs_tddfpt2_properties.F ./qs_cdft_types.F ./ewald_pw_types.F ./input_optimize_input.F ./xc_pot_saop.F ./qmmm_gaussian_types.F ./optimize_dmfet_potential.F ./qs_tddfpt_module.F ./wannier_states_types.F ./dm_ls_scf_methods.F ./xas_tdp_integrals.F ./hfx_pw_methods.F ./qs_epr_hyp.F ./pair_potential_coulomb.F ./qs_kinetic.F ./qs_overlap.F ./qs_subsys_types.F ./qs_operators_ao.F ./qs_tddfpt2_types.F ./fp_methods.F ./qs_cdft_scf_utils.F ./rpa_main.F ./cell_methods.F ./mol_force.F ./spme.F ./nnp_force.F ./input_cp2k_rsgrid.F ./qs_mixing_utils.F ./input_cp2k_embed.F ./qs_oce_types.F ./topology_psf.F ./lri_environment_types.F ./pao_param.F ./subsys/virial_types.F ./subsys/molecule_list_types.F ./subsys/atomic_kind_types.F ./subsys/molecule_kind_types.F ./subsys/shell_potential_types.F ./subsys/multipole_types.F ./subsys/particle_list_types.F ./subsys/molecule_kind_list_types.F ./subsys/external_potential_types.F ./subsys/cell_types.F ./subsys/damping_dipole_types.F ./subsys/cp_subsys_types.F ./subsys/molecule_types.F ./subsys/atomic_kind_list_types.F ./subsys/particle_types.F ./subsys/force_field_kind_types.F ./subsys/colvar_types.F ./subsys/atprop_types.F ./pao_param_exp.F ./particle_methods.F ./task_list_types.F ./qs_ks_apply_restraints.F ./constraint_fxd.F ./qs_dftb_matrices.F ./xas_tdp_kernel.F ./mp2_ri_2c.F ./et_coupling.F ./fist_environment_types.F ./energy_corrections.F ./sirius_interface.F ./rpa_gw_ic.F ./pao_input.F ./molsym.F ./molecular_moments.F ./colvar_methods.F ./qmmm_pw_grid.F ./qs_elf_methods.F ./se_fock_matrix_coulomb.F ./qs_gcp_types.F ./qs_ks_types.F ./scf_control_types.F ./qs_linres_nmr_shift.F ./qs_dftb_parameters.F ./kg_environment_types.F ./qs_ks_utils.F ./qmmm_ff_fist.F ./transport_env_types.F ./qmmmx_force.F ./rpa_communication.F ./qs_ks_atom.F ./basis_set_output.F ./hfx_helpers.F ./qs_scf_csr_write.F ./core_ppl.F ./qs_linres_current_utils.F ./qs_fb_env_methods.F ./qs_scf_lanczos.F ./almo_scf_types.F ./mp2_ri_gpw.F ./metadynamics_utils.F ./admm_dm_types.F ./eip_environment_types.F ./pw_env_methods.F ./se_fock_matrix.F ./ct_methods.F ./ewald_pw_methods.F ./xtb_coulomb.F ./almo_scf_qs.F ./admm_methods.F ./atom_types.F ./negf_subgroup_types.F ./mp2_eri_gpw.F ./qs_active_space_types.F ./qs_dftb_dispersion.F ./topology_coordinate_util.F ./optimize_basis.F ./xas_tdp_atom.F ./qs_linres_epr_ownutils.F ./atom_basis.F ./qs_wannier90.F ./qs_loc_utils.F ./mao_types.F ./qs_scf_diagonalization.F ./scine_utils.F ./qmmmx_update.F ./qmmm_gaussian_input.F ./force_env_utils.F ./qs_band_structure.F ./ewalds.F ./qs_scf_wfn_mix.F ./input_cp2k_nnp.F ./qs_wf_history_types.F ./input_cp2k_transport.F ./qs_tddfpt_eigensolver.F ./cp_external_control.F ./hfx_pair_list_methods.F ./topology.F ./preconditioner_apply.F ./emd/rt_hfx_utils.F ./emd/rt_propagation_utils.F ./emd/rt_propagation_methods.F ./emd/rt_propagator_init.F ./emd/rt_propagation_output.F ./emd/rt_make_propagators.F ./emd/rt_delta_pulse.F ./qs_rho0_types.F ./hartree_local_types.F ./semi_empirical_mpole_methods.F ./mp2_eri.F ./cp_dbcsr_operations.F ./qs_mo_types.F ./qs_local_properties.F ./bse.F ./topology_types.F ./hfx_communication.F ./cp_ddapc.F ./fist_efield_types.F ./qs_mom_methods.F ./pwdft_environment_types.F ./dkh_main.F ./aobasis/ai_oneelectron.F ./aobasis/ai_verfc.F ./aobasis/ai_angmom.F ./aobasis/ai_contraction.F ./aobasis/ai_moments.F ./aobasis/ai_overlap3.F ./aobasis/sto_ng.F ./aobasis/ai_overlap_debug.F ./aobasis/ai_overlap_ppl.F ./aobasis/ai_overlap.F ./aobasis/ai_kinetic.F ./aobasis/soft_basis_set.F ./aobasis/ai_elec_field.F ./aobasis/ai_derivatives.F ./aobasis/ai_fermi_contact.F ./aobasis/ai_contraction_sphi.F ./aobasis/ai_spin_orbit.F ./aobasis/ai_overlap_aabb.F ./aobasis/aux_basis_set.F ./aobasis/orbital_pointers.F ./aobasis/ai_overlap3_debug.F ./aobasis/basis_set_types.F ./aobasis/basis_set_container_types.F ./aobasis/ai_eri_debug.F ./aobasis/ai_coulomb.F ./aobasis/ao_util.F ./aobasis/ai_operator_ra2m.F ./aobasis/ai_coulomb_test.F ./aobasis/ai_os_rr.F ./aobasis/orbital_symbols.F ./aobasis/ai_operators_r12.F ./aobasis/orbital_transformation_matrices.F ./aobasis/ai_onecenter.F ./lri_integrals.F ./qs_tddfpt2_subgroups.F ./xas_restart.F ./qs_ot_minimizer.F ./input_cp2k_colvar.F ./qs_loc_methods.F ./qs_block_davidson_types.F ./qs_charges_types.F ./qmmm_gaussian_data.F ./domain_submatrix_methods.F ./qmmm_se_forces.F ./pao_param_fock.F ./qs_oce_methods.F ./qs_gapw_densities.F ./base/base_hooks.F ./base/machine.F ./base/kinds.F ./base/machine_internal.F ./start/cp2k_runs.F ./start/cp2k.F ./start/input_cp2k_motion.F ./start/cp2k_shell.F ./start/libcp2k.F ./start/input_cp2k.F ./qs_linres_issc_utils.F ./lri_environment_init.F ./cp_eri_mme_interface.F ./motion/pint_staging.F ./motion/neb_opt_utils.F ./motion/mdctrl_methods.F ./motion/helium_interactions.F ./motion/rt_propagation.F ./motion/neb_types.F ./motion/pint_methods.F ./motion/shell_opt.F ./motion/md_run.F ./motion/integrator_utils.F ./motion/xyz2dcd.F ./motion/md_environment_types.F ./motion/pint_gle.F ./motion/cell_opt_utils.F ./motion/neb_md_utils.F ./motion/md_util.F ./motion/wiener_process.F ./motion/cg_utils.F ./motion/neb_io.F ./motion/thermal_region_utils.F ./motion/gopt_f_types.F ./motion/mc/tamc_run.F ./motion/mc/mc_misc.F ./motion/mc/mc_move_control.F ./motion/mc/mc_moves.F ./motion/mc/mc_types.F ./motion/mc/mc_run.F ./motion/mc/mc_environment_types.F ./motion/mc/mc_ensembles.F ./motion/mc/mc_coordinates.F ./motion/mc/mc_control.F ./motion/mc/mc_ge_moves.F ./motion/reftraj_types.F ./motion/neb_utils.F ./motion/free_energy_methods.F ./motion/pint_piglet.F ./motion/cell_opt.F ./motion/helium_methods.F ./motion/helium_sampling.F ./motion/gopt_f_methods.F ./motion/md_ener_types.F ./motion/md_vel_utils.F ./motion/gopt_f77_methods.F ./motion/glbopt_callback.F ./motion/thermal_region_types.F ./motion/pint_transformations.F ./motion/cp_lbfgs_optimizer_gopt.F ./motion/velocity_verlet_control.F ./motion/dimer_types.F ./motion/helium_worm.F ./motion/pint_pile.F ./motion/thermostat/extended_system_dynamics.F ./motion/thermostat/al_system_mapping.F ./motion/thermostat/barostat_types.F ./motion/thermostat/thermostat_utils.F ./motion/thermostat/thermostat_mapping.F ./motion/thermostat/al_system_dynamics.F ./motion/thermostat/csvr_system_dynamics.F ./motion/thermostat/extended_system_init.F ./motion/thermostat/input_cp2k_barostats.F ./motion/thermostat/barostat_utils.F ./motion/thermostat/csvr_system_init.F ./motion/thermostat/thermostat_types.F ./motion/thermostat/gle_system_dynamics.F ./motion/thermostat/extended_system_mapping.F ./motion/thermostat/csvr_system_mapping.F ./motion/thermostat/al_system_init.F ./motion/thermostat/thermostat_methods.F ./motion/neb_methods.F ./motion/pint_qtb.F ./motion/md_energies.F ./motion/helium_types.F ./motion/integrator.F ./motion/input_cp2k_restarts.F ./motion/pint_types.F ./motion/geo_opt.F ./motion/dimer_utils.F ./motion/pint_normalmode.F ./motion/helium_common.F ./motion/cg_optimizer.F ./motion/pint_io.F ./motion/input_cp2k_md.F ./motion/cp_lbfgs_geo.F ./motion/cp_lbfgs.F ./motion/gopt_param_types.F ./motion/pint_public.F ./motion/reftraj_util.F ./motion/md_conserved_quantities.F ./motion/vibrational_analysis.F ./motion/dumpdcd.F ./motion/helium_io.F ./motion/cell_opt_types.F ./motion/simpar_methods.F ./motion/bfgs_optimizer.F ./motion/dimer_methods.F ./motion/input_cp2k_vib.F ./motion/averages_types.F ./input_cp2k_pwdft.F ./preconditioner_solvers.F ./hfx_screening_methods.F ./atom_upf.F ./mp2_setup.F ./pw_env/pw_env_types.F ./pw_env/cp_spline_utils.F ./pw_env/gaussian_gridlevels.F ./pw_env/rs_pw_interface.F ./semi_empirical_int_utils.F ./qs_elec_field.F ./metadynamics_types.F ./response_solver.F ./qs_tddfpt_utils.F ./input_cp2k_global.F ./pair_potential_util.F ./metadynamics.F ./qs_pdos.F ./rpa_axk.F ./linesearch.F ./rmsd.F ./qs_hash_table_functions.F ./qs_electric_field_gradient.F ./mixed_environment_utils.F ./qmmmx_create.F ./qmmm_elpot.F ./kg_environment.F ./qs_tddfpt2_stda_utils.F ./negf_integr_simpson.F ./force_fields_input.F ./force_fields_all.F ./pao_optimizer.F ./preconditioner_makes.F ./fist_energy_types.F ./hfx_load_balance_methods.F ./qs_gspace_mixing.F ./cp_control_types.F ./kg_tnadd_mat.F ./qs_tddfpt2_restart.F ./dm_ls_chebyshev.F ./qs_energy_init.F ./qs_energy_matrix_w.F ./almo_scf_methods.F ./constraint_4x6.F ./qs_tddfpt2_methods.F ./pexsi_methods.F ./pao_potentials.F ./qs_fb_atomic_matrix_methods.F ./hfx_types.F ./pao_ml.F ./fist_efield_methods.F ./input_cp2k_neb.F ./hirshfeld_types.F ./mp2_direct_method.F ./mp2_cphf.F ./statistical_methods.F ./cp_ddapc_util.F ./qs_dos.F ./constraint_util.F ./cp_ddapc_methods.F ./topology_xyz.F ./qmmm_create.F ./generic_os_integrals.F ./semi_empirical_utils.F ./farming_methods.F ./cp_realspace_grid_cube.F ./lri_compression.F ./qs_p_env_types.F ./xtb_matrices.F ./shg_int/generic_shg_integrals_init.F ./shg_int/s_contract_shg.F ./shg_int/generic_shg_integrals.F ./shg_int/constants_operator.F ./shg_int/construct_shg.F ./qs_resp.F ./qs_environment_methods.F ./qs_diis.F ./constraint_3x3.F ./atom_energy.F ./ewalds_multipole.F ./semi_empirical_int3_utils.F ./fermi_utils.F ./qs_o3c_methods.F ./mixed_environment.F ./qs_nl_hash_table_types.F ./qs_active_space_methods.F ./molecular_states.F ./negf_env_types.F ./xas_tdp_methods.F ./fist_environment.F ./embed_types.F ./qs_tddfpt2_stda_types.F ./atom_electronic_structure.F ./kpoint_transitional.F ./rpa_rse.F ./qs_loc_molecules.F ./force_fields_ext.F ./hfxbase/hfx_contraction_methods.F ./hfxbase/hfx_compression_core_methods.F ./hfxbase/hfx_contract_block.F ./qs_integrate_potential_single.F ./qs_ot_types.F ./dft_plus_u.F ./qmmm_links_methods.F ./qs_rho_atom_methods.F ./qs_linres_epr_utils.F ./topology_util.F ./negf_vectors.F ./block_p_types.F ./f77_interface.F ./qs_mo_methods.F ./qs_scf_post_gpw.F ./eip_environment.F ./semi_empirical_store_int_types.F ./topology_connectivity_util.F ./mp2_laplace.F ./negf_integr_cc.F ./virial_methods.F ./atom_sgp.F ./qs_sccs.F ./dm_ls_scf.F ./input_cp2k_xc.F ./se_fock_matrix_integrals.F ./atom_optimization.F ./input_cp2k_tb.F ./csvr_system_types.F ./hirshfeld_methods.F ./eip_silicon.F ./semi_empirical_par_utils.F ./bsse.F ./qs_ks_qmmm_types.F ./input_cp2k_kpoints.F ./mulliken.F ./pexsi_types.F ./mixed_energy_types.F ./almo_scf.F ./kpoint_methods.F ./xray_diffraction.F ./qs_tddfpt2_fhxc.F ./topology_pdb.F ./input_cp2k_mm.F ./pao_linpot_rotinv.F ./qs_core_hamiltonian.F ./topology_generate_util.F ./qs_rho_atom_types.F ./constraint_vsite.F ./semi_empirical_expns3_methods.F ./qs_environment.F ./qs_chargemol.F ./cp_symmetry.F ./qs_ot_scf.F ./qs_outer_scf.F ./mdctrl_types.F ./topology_multiple_unit_cell.F ./qs_scf_block_davidson.F ./qs_scf_methods.F ./qs_commutators.F ./qs_loc_dipole.F ./farming_types.F ./dbcsrx/dbcsr_vector.F ./simpar_types.F ./pwdft_environment.F ./uff_vdw_radii_table.F ./input_cp2k_subsys.F ./mpiwrap/message_passing.F ./xas_tp_scf.F ./lri_optimize_ri_basis_types.F ./lri_optimize_ri_basis.F ./nnp_environment_types.F ./kg_vertex_coloring_methods.F ./xtb_types.F ./input_cp2k_almo.F ./qs_mo_io.F ./input_cp2k_qmmm.F ./almo_scf_diis_types.F ./qs_ot_eigensolver.F ./submatrix_dissection.F ./pme_tools.F ./qs_o3c_types.F ./fist_main.F ./fist_nonbond_env_types.F ./rt_propagation_forces.F ./qs_loc_states.F ./mp2_grids.F ./force_fields.F ./header.F ./pao_ml_descriptor.F ./qs_force_types.F ./qs_fermi_contact.F ./qs_scf_types.F ./mm_collocate_potential.F ./efield_tb_methods.F ./csvr_system_utils.F ./grrm_utils.F ./qs_kind_types.F ./replica_methods.F ./pao_ml_neuralnet.F ./qmmm_image_charge.F ./distribution_2d_types.F ./xas_tdp_utils.F ./auto_basis.F ./spglib_f08.F ./qs_rho0_ggrid.F ./semi_empirical_expns3_types.F ./qs_fb_com_tasks_types.F ./iterate_matrix.F ./qs_fb_filter_matrix_methods.F ./qs_scf_post_se.F ./arnoldi/arnoldi_geev.F ./arnoldi/arnoldi_types.F ./arnoldi/arnoldi_api.F ./arnoldi/arnoldi_data_methods.F ./arnoldi/arnoldi_methods.F ./fm/cp_fm_pool_types.F ./fm/cp_cfm_types.F ./fm/cp_cfm_diag.F ./fm/cp_fm_vect.F ./fm/cp_fm_elpa.F ./fm/cp_fm_diag.F ./fm/cp_fm_basic_linalg.F ./fm/cp_fm_struct.F ./fm/cp_cfm_basic_linalg.F ./fm/cp_fm_types.F ./fm/cp_blacs_calls.F ./fm/cp_blacs_env.F ./fm/cp_fm_cholesky.F ./fm/cp_fm_diag_utils.F ./fm/cp_linked_list_fm.F ./qs_dftb_coulomb.F ./negf_green_cache.F ./lri_environment_methods.F ./qs_environment_types.F ./qs_gamma2kp.F ./qs_diis_types.F ./qs_fb_buffer_types.F ./preconditioner_types.F ./s_square_methods.F ./qs_density_mixing_types.F ./cp_ddapc_forces.F ./qmmm_types.F ./qs_mo_occupation.F ./hartree_local_methods.F ./moments_utils.F ./rpa_kpoints.F ./qs_fb_env_types.F ./core_ppnl.F ./fist_intra_force.F ./mm_mapping_library.F ./et_coupling_proj.F ./atom_output.F ./topology_constraint_util.F ./input_cp2k_force_eval.F ./qs_tensors_types.F ./qmmm_gaussian_init.F ./domain_submatrix_types.F ./mp2_integrals.F ./semi_empirical_int_num.F ./molecular_dipoles.F ./mixed_cdft_methods.F ./mixed_main.F ./input_cp2k_ls.F ./almo_scf_optimizer.F ./qs_linres_methods.F ./qs_energy_types.F ./nnp_acsf.F ./task_list_methods.F ./qs_interactions.F ./minbas_wfn_analysis.F ./external_potential_methods.F ./semi_empirical_int_gks.F ./grid/grid_task_list.c ./grid/common/grid_sphere_cache.c ./grid/common/grid_basis_set.c ./grid/common/grid_library.c ./grid/common/grid_buffer.c ./grid/grid_miniapp.c ./grid/grid_replay.c ./grid/cpu/collocation_integration.c ./grid/cpu/grid_prepare_pab_dgemm.c ./grid/cpu/tensor_local.c ./grid/cpu/utils.c ./grid/cpu/coefficients.c ./grid/cpu/grid_context_cpu.c ./grid/cpu/grid_integrate_dgemm.c ./grid/cpu/non_orthorombic_corrections.c ./grid/cpu/grid_collocate_dgemm.c ./grid/grid_unittest.c ./grid/ref/grid_ref_integrate.c ./grid/ref/grid_ref_task_list.c ./grid/ref/grid_ref_prepare_pab.c ./grid/ref/grid_ref_collocate.c ./grid/hybrid/grid_integrate_hybrid.c ./grid/hybrid/grid_collocate_hybrid.c ./pw/fpga/fft_fpga.c ./pw/fpga/opencl_utils.c ./sockets.c ./base/machine_cpuid.c ./start/libcp2k_unittest.c +/build/reproducible-path/cp2k-8.1/tools/build_utils/makedep.py /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep cp2k "lower" "normal" .a /build/reproducible-path/cp2k-8.1/src ./mp2_ri_grad.F ./semi_empirical_parameters.F ./rpa_kpoints.F ./qs_mixing_utils.F ./qs_linres_epr_utils.F ./qmmm_init.F ./pwdft_environment_types.F ./kpoint_transitional.F ./qs_rho_atom_types.F ./cp_ddapc_types.F ./topology_util.F ./molden_utils.F ./pao_input.F ./se_fock_matrix_exchange.F ./qs_o3c_types.F ./qs_neighbor_list_types.F ./mixed_environment.F ./qs_condnum.F ./qs_gcp_utils.F ./ewald_environment_types.F ./kg_correction.F ./kpoint_types.F ./qs_dftb_coulomb.F ./library_tests.F ./force_fields_util.F ./input_cp2k_thermostats.F ./ewalds.F ./efield_utils.F ./integration_grid_types.F ./qs_core_energies.F ./lri_compression.F ./qs_p_env_types.F ./qs_charge_mixing.F ./task_list_types.F ./qs_loc_methods.F ./metadynamics_types.F ./constraint.F ./force_fields_all.F ./hirshfeld_types.F ./qs_tddfpt2_methods.F ./input_cp2k_force_eval.F ./qs_tddfpt_module.F ./s_square_methods.F ./optimize_basis_types.F ./qs_ot.F ./admm_dm_types.F ./input_cp2k_check.F ./input_cp2k_external.F ./al_system_types.F ./atoms_input.F ./qs_wannier90.F ./mp2_setup.F ./minimax/minimax_exp_k15.F ./minimax/minimax_exp_k53.F ./minimax/minimax_exp_gw.F ./minimax/minimax_exp.F ./minimax/minimax_rpa.F ./cell_methods.F ./qs_harmonics_atom.F ./almo_scf_qs.F ./molecular_moments.F ./mao_basis.F ./lri_environment_types.F ./block_p_types.F ./xas_methods.F ./graphcon.F ./negf_subgroup_types.F ./topology_cif.F ./qs_charges_types.F ./xtb_coulomb.F ./se_fock_matrix_coulomb.F ./qmmm_per_elpot.F ./input_cp2k_pwdft.F ./pao_ml_neuralnet.F ./motion_utils.F ./transport_env_types.F ./pao_param_fock.F ./qs_subsys_types.F ./constraint_util.F ./qs_cdft_types.F ./qs_period_efield_types.F ./optimize_basis_utils.F ./xc_write_output.F ./ipi_driver.F ./input_constants.F ./qs_scf_post_se.F ./pw/pw_pool_types.F ./pw/ps_wavelet_scaling_function.F ./pw/pw_grids.F ./pw/ps_wavelet_types.F ./pw/dirichlet_bc_methods.F ./pw/realspace_grid_cube.F ./pw/dg_rho0_types.F ./pw/dg_types.F ./pw/lazy.F ./pw/pw_poisson_types.F ./pw/realspace_grid_types.F ./pw/pw_spline_utils.F ./pw/pw_grid_info.F ./pw/dgs.F ./pw/mt_util.F ./pw/cp_linked_list_pw.F ./pw/rs_methods.F ./pw/ps_wavelet_kernel.F ./pw/cube_utils.F ./pw/fft_tools.F ./pw/dielectric_methods.F ./pw/ps_wavelet_util.F ./pw/pw_methods.F ./pw/dct.F ./pw/dirichlet_bc_types.F ./pw/ps_wavelet_methods.F ./pw/fast.F ./pw/pw_cuda.F ./pw/dielectric_types.F ./pw/ps_implicit_methods.F ./pw/fft/fft_lib.F ./pw/fft/fft_kinds.F ./pw/fft/fftsg_lib.F ./pw/fft/fftw3_lib.F ./pw/fft/mltfftsg_tools.F ./pw/fft/fft_plan.F ./pw/ps_wavelet_fft3d.F ./pw/ps_implicit_types.F ./pw/pw_grid_types.F ./pw/pw_types.F ./pw/ps_wavelet_base.F ./pw/pw_poisson_methods.F ./pw/pw_fpga.F ./qs_basis_gradient.F ./qs_commutators.F ./qs_loc_utils.F ./gle_system_types.F ./aobasis/ai_oneelectron.F ./aobasis/sto_ng.F ./aobasis/ai_overlap_debug.F ./aobasis/ai_moments.F ./aobasis/ai_verfc.F ./aobasis/ai_onecenter.F ./aobasis/orbital_pointers.F ./aobasis/ai_coulomb.F ./aobasis/ai_eri_debug.F ./aobasis/ai_kinetic.F ./aobasis/ai_derivatives.F ./aobasis/ai_overlap_aabb.F ./aobasis/ai_spin_orbit.F ./aobasis/ai_os_rr.F ./aobasis/basis_set_types.F ./aobasis/ai_overlap.F ./aobasis/orbital_transformation_matrices.F ./aobasis/ai_overlap_ppl.F ./aobasis/aux_basis_set.F ./aobasis/ai_angmom.F ./aobasis/ai_overlap3_debug.F ./aobasis/basis_set_container_types.F ./aobasis/ao_util.F ./aobasis/ai_contraction.F ./aobasis/ai_fermi_contact.F ./aobasis/ai_coulomb_test.F ./aobasis/ai_operators_r12.F ./aobasis/ai_operator_ra2m.F ./aobasis/soft_basis_set.F ./aobasis/ai_overlap3.F ./aobasis/ai_contraction_sphi.F ./aobasis/orbital_symbols.F ./aobasis/ai_elec_field.F ./qmmmx_update.F ./input_cp2k_subsys.F ./rpa_main.F ./semi_empirical_par_utils.F ./submatrix_types.F ./qs_tddfpt2_subgroups.F ./mao_types.F ./qs_tddfpt2_restart.F ./rpa_util.F ./qs_scf_initialization.F ./dm_ls_chebyshev.F ./energy_corrections.F ./qs_subsys_methods.F ./atom_utils.F ./spglib_f08.F ./pwdft_environment.F ./cp_dbcsr_cholesky.F ./swarm/swarm_master.F ./swarm/swarm_message.F ./swarm/glbopt_mincrawl.F ./swarm/glbopt_minhop.F ./swarm/swarm_mpi.F ./swarm/glbopt_history.F ./swarm/glbopt_worker.F ./swarm/glbopt_master.F ./swarm/swarm.F ./swarm/glbopt_input.F ./swarm/swarm_input.F ./swarm/swarm_worker.F ./admm_methods.F ./constraint_4x6.F ./splines_types.F ./qs_cdft_utils.F ./generic_os_integrals.F ./force_field_types.F ./constraint_vsite.F ./rmsd.F ./atom_optimization.F ./pexsi_types.F ./pme.F ./semi_empirical_int_arrays.F ./qs_scf_loop_utils.F ./semi_empirical_int_ana.F ./header.F ./input_cp2k_xc.F ./topology_input.F ./atom_grb.F ./qs_gcp_types.F ./embed_environment.F ./qs_wf_history_methods.F ./extended_system_types.F ./hfx_screening_methods.F ./free_energy_types.F ./qs_scf_lanczos.F ./qs_linres_op.F ./qs_tddfpt2_densities.F ./input/cp_parser_types.F ./input/input_enumeration_types.F ./input/input_keyword_types.F ./input/cp_parser_ilist_methods.F ./input/input_parsing.F ./input/cp_parser_buffer_types.F ./input/cp_parser_ilist_types.F ./input/cp_parser_status_types.F ./input/cp_parser_methods.F ./input/cp_output_handling.F ./input/cp_linked_list_input.F ./input/input_val_types.F ./input/input_section_types.F ./input/cp_parser_inpp_methods.F ./input/cp_parser_inpp_types.F ./qs_environment_methods.F ./qmmmx_force.F ./atom_pseudo.F ./qs_integrate_potential.F ./force_env_methods.F ./mixed_cdft_types.F ./lri_forces.F ./embed_main.F ./qs_mo_occupation.F ./fist_neighbor_lists.F ./manybody_eam.F ./qs_rho0_ggrid.F ./qs_mom_types.F ./qs_linres_polar_utils.F ./surface_dipole.F ./common/whittaker.F ./common/kahan_sum.F ./common/fparser.F ./common/cp_para_types.F ./common/lapack.F ./common/physcon.F ./common/list_routinereport.F ./common/cp_iter_types.F ./common/bibliography.F ./common/string_table.F ./common/list_routinestat.F ./common/timings_types.F ./common/t_sh_p_s_c.F ./common/cp_result_types.F ./common/cp_min_heap.F ./common/string_utilities.F ./common/lebedev.F ./common/eigenvalueproblems.F ./common/gamma.F ./common/memory_utilities.F ./common/cp_para_env.F ./common/spherical_harmonics.F ./common/reference_manager.F ./common/timings_base_type.F ./common/cp_result_methods.F ./common/timings_report.F ./common/structure_factor_types.F ./common/linear_systems.F ./common/cp_array_utils.F ./common/mathlib.F ./common/list.F ./common/cp_log_handling.F ./common/structure_factors.F ./common/cp_files.F ./common/cg_test.F ./common/bessel_lib.F ./common/parallel_rng_types_unittest.F ./common/cp_error_handling.F ./common/routine_map.F ./common/cp_units.F ./common/distribution_1d_types.F ./common/list_callstackentry.F ./common/mathconstants.F ./common/timings.F ./common/splines.F ./common/cp_array_sort.F ./common/periodic_table.F ./common/t_c_g0.F ./common/memory_utilities_unittest.F ./common/list_timerenv.F ./common/d3_poly.F ./common/parallel_rng_types.F ./common/powell.F ./common/cuda_profiling.F ./common/print_messages.F ./common/callgraph.F ./common/util.F ./qs_epr_hyp.F ./qs_electric_field_gradient.F ./hirshfeld_methods.F ./et_coupling_proj.F ./hfx_libint_interface.F ./fist_intra_force.F ./cp2k_info.F ./input_cp2k_atom.F ./hfx_pair_list_methods.F ./qs_fermi_contact.F ./debug_os_integrals.F ./hfx_energy_potential.F ./manybody_tersoff.F ./qmmm_gaussian_types.F ./ct_methods.F ./qmmm_pw_grid.F ./base/base_hooks.F ./base/machine_internal.F ./base/kinds.F ./base/machine.F ./cp_subsys_methods.F ./colvar_utils.F ./metadynamics_utils.F ./atomic_charges.F ./particle_methods.F ./cp_realspace_grid_init.F ./input_cp2k_transport.F ./rpa_rse.F ./qs_ks_apply_restraints.F ./qs_scf_post_scf.F ./pair_potential_coulomb.F ./input_cp2k_dft.F ./dm_ls_scf_create.F ./fp_methods.F ./mp2_ri_libint.F ./mpiwrap/message_passing.F ./qmmm_elpot.F ./semi_empirical_int_gks.F ./qs_local_properties.F ./optimize_dmfet_potential.F ./topology_connectivity_util.F ./cp_dbcsr_cp2k_link.F ./qs_external_potential.F ./input_restart_rng.F ./qs_oce_types.F ./preconditioner_solvers.F ./nnp_environment.F ./negf_atom_map.F ./qs_rho0_types.F ./optimize_basis.F ./qmmm_util.F ./mp2_ri_gpw.F ./pw_env_methods.F ./input_cp2k_field.F ./qs_dispersion_utils.F ./mp2_types.F ./input_cp2k_global.F ./qs_energy_types.F ./mp2_gpw_method.F ./qmmm_types_low.F ./input_cp2k_tb.F ./semi_empirical_int_utils.F ./atom_kind_orbitals.F ./qs_ot_types.F ./negf_env_types.F ./pao_linpot_rotinv.F ./dm_ls_scf_curvy.F ./mulliken.F ./admm_dm_methods.F ./dbcsrx/dbcsr_vector.F ./qs_mo_types.F ./cp_external_control.F ./input_cp2k_hfx.F ./qs_vxc.F ./rel_control_types.F ./matrix_exp.F ./qs_scf_csr_write.F ./force_fields_input.F ./semi_empirical_int_num.F ./qs_gcp_method.F ./farming_methods.F ./distribution_methods.F ./qmmm_image_charge.F ./qs_dftb_parameters.F ./qs_tddfpt2_fhxc.F ./input_cp2k_constraints.F ./ec_env_types.F ./ls_matrix_exp.F ./almo_scf_optimizer.F ./pao_main.F ./input_cp2k_mp2.F ./qs_fb_com_tasks_types.F ./hfx_ri.F ./input_restart_force_eval.F ./et_coupling_types.F ./atom_electronic_structure.F ./qs_tensors_types.F ./force_env_utils.F ./simpar_types.F ./shg_integrals_test.F ./constraint_clv.F ./qs_cdft_opt_types.F ./mode_selective.F ./qs_scf.F ./input_cp2k_colvar.F ./lri_environment_init.F ./qs_integrate_potential_single.F ./domain_submatrix_types.F ./qs_tddfpt2_types.F ./metadyn_tools/graph_utils.F ./metadyn_tools/graph_methods.F ./metadyn_tools/graph.F ./constraint_fxd.F ./rt_propagation_types.F ./qs_initial_guess.F ./qmmm_gaussian_input.F ./hfx_types.F ./semi_empirical_expns3_methods.F ./qmmm_ff_fist.F ./atom_basis.F ./motion/integrator.F ./motion/neb_md_utils.F ./motion/neb_opt_utils.F ./motion/pint_staging.F ./motion/pint_io.F ./motion/gopt_f77_methods.F ./motion/gopt_f_types.F ./motion/cell_opt.F ./motion/averages_types.F ./motion/pint_transformations.F ./motion/pint_public.F ./motion/md_ener_types.F ./motion/cg_optimizer.F ./motion/geo_opt.F ./motion/thermal_region_utils.F ./motion/bfgs_optimizer.F ./motion/neb_utils.F ./motion/helium_types.F ./motion/rt_propagation.F ./motion/md_vel_utils.F ./motion/helium_methods.F ./motion/neb_io.F ./motion/pint_types.F ./motion/xyz2dcd.F ./motion/free_energy_methods.F ./motion/dimer_methods.F ./motion/shell_opt.F ./motion/md_run.F ./motion/reftraj_types.F ./motion/cp_lbfgs.F ./motion/neb_methods.F ./motion/helium_common.F ./motion/md_environment_types.F ./motion/pint_pile.F ./motion/velocity_verlet_control.F ./motion/input_cp2k_restarts.F ./motion/pint_normalmode.F ./motion/md_util.F ./motion/cell_opt_types.F ./motion/gopt_param_types.F ./motion/dimer_types.F ./motion/cp_lbfgs_optimizer_gopt.F ./motion/md_conserved_quantities.F ./motion/pint_piglet.F ./motion/pint_qtb.F ./motion/helium_interactions.F ./motion/dimer_utils.F ./motion/thermostat/csvr_system_init.F ./motion/thermostat/csvr_system_mapping.F ./motion/thermostat/thermostat_utils.F ./motion/thermostat/extended_system_mapping.F ./motion/thermostat/extended_system_dynamics.F ./motion/thermostat/al_system_dynamics.F ./motion/thermostat/gle_system_dynamics.F ./motion/thermostat/input_cp2k_barostats.F ./motion/thermostat/al_system_init.F ./motion/thermostat/thermostat_mapping.F ./motion/thermostat/extended_system_init.F ./motion/thermostat/al_system_mapping.F ./motion/thermostat/barostat_utils.F ./motion/thermostat/barostat_types.F ./motion/thermostat/thermostat_methods.F ./motion/thermostat/thermostat_types.F ./motion/thermostat/csvr_system_dynamics.F ./motion/simpar_methods.F ./motion/dumpdcd.F ./motion/gopt_f_methods.F ./motion/md_energies.F ./motion/wiener_process.F ./motion/helium_worm.F ./motion/thermal_region_types.F ./motion/helium_io.F ./motion/mdctrl_methods.F ./motion/neb_types.F ./motion/pint_gle.F ./motion/integrator_utils.F ./motion/mc/mc_moves.F ./motion/mc/mc_environment_types.F ./motion/mc/mc_move_control.F ./motion/mc/mc_types.F ./motion/mc/tamc_run.F ./motion/mc/mc_coordinates.F ./motion/mc/mc_misc.F ./motion/mc/mc_ensembles.F ./motion/mc/mc_control.F ./motion/mc/mc_ge_moves.F ./motion/mc/mc_run.F ./motion/cg_utils.F ./motion/glbopt_callback.F ./motion/helium_sampling.F ./motion/input_cp2k_vib.F ./motion/cp_lbfgs_geo.F ./motion/pint_methods.F ./motion/reftraj_util.F ./motion/cell_opt_utils.F ./motion/input_cp2k_md.F ./motion/vibrational_analysis.F ./almo_scf_methods.F ./xc/xc_xalpha.F ./xc/xc_rho_cflags_types.F ./xc/xc_sr_lda.F ./xc/xc_xpbe_hole_t_c_lr.F ./xc/xc.F ./xc/xc_xlda_hole_t_c_lr.F ./xc/xc_tfw.F ./xc/xc_pbe.F ./xc/xc_derivatives.F ./xc/xc_rho_set_types.F ./xc/xc_hcth.F ./xc/xc_derivative_set_types.F ./xc/xc_pade.F ./xc/xc_derivative_desc.F ./xc/xc_perdew_wang.F ./xc/xc_libxc.F ./xc/xc_lyp.F ./xc/xc_exchange_gga.F ./xc/xc_xbecke88_long_range.F ./xc/xc_xbecke88_lr_adiabatic.F ./xc/xc_thomas_fermi.F ./xc/xc_b97.F ./xc/xc_vwn.F ./xc/xc_cs1.F ./xc/xc_ke_gga.F ./xc/xc_xbr_pbe_lda_hole_t_c_lr.F ./xc/xc_perdew86.F ./xc/xc_xbecke_roussel.F ./xc/xc_lyp_adiabatic.F ./xc/xc_atom.F ./xc/xc_optx.F ./xc/xc_xbecke88.F ./xc/xc_libxc_wrap.F ./xc/cp_linked_list_xc_deriv.F ./xc/xc_functionals_utilities.F ./xc/xc_input_constants.F ./xc/xc_perdew_zunger.F ./xc/xc_tpss.F ./xc/xc_xwpbe.F ./xc/xc_xbeef.F ./xc/xc_derivative_types.F ./se_core_core.F ./qs_active_space_methods.F ./topology_generate_util.F ./se_fock_matrix.F ./rpa_gw.F ./nnp_model.F ./qs_efield_local.F ./qs_vxc_atom.F ./eip_environment.F ./qs_kpp1_env_methods.F ./mao_optimizer.F ./semi_empirical_int3_utils.F ./hfxbase/hfx_compression_core_methods.F ./hfxbase/hfx_contract_block.F ./hfxbase/hfx_contraction_methods.F ./paw_proj_set_types.F ./pexsi_methods.F ./force_fields.F ./xtb_parameters.F ./almo_scf_lbfgs_types.F ./rpa_gw_im_time_util.F ./input_cp2k_negf.F ./qmmm_topology_util.F ./qs_linres_nmr_utils.F ./maxwell_solver_interface.F ./kpoint_io.F ./input_cp2k_read.F ./grrm_utils.F ./hfx_pw_methods.F ./kg_tnadd_mat.F ./qs_tddfpt_types.F ./qs_linres_epr_nablavks.F ./qmmm_gpw_energy.F ./qmmm_gaussian_data.F ./scine_utils.F ./mp2_ri_grad_util.F ./qs_cdft_methods.F ./optbas_opt_utils.F ./molsym.F ./fist_nonbond_force.F ./kpoint_coulomb_2c.F ./auto_basis.F ./qs_ks_qmmm_types.F ./manybody_quip.F ./qs_dispersion_nonloc.F ./rtp_admm_methods.F ./cp_dbcsr_operations.F ./qs_energy_init.F ./core_ppl.F ./cp_dbcsr_diag.F ./cp_control_types.F ./qs_dftb3_methods.F ./qs_ks_atom.F ./mp2_integrals.F ./minbas_methods.F ./pme_tools.F ./ewald_methods_tb.F ./qs_wf_history_types.F ./qs_block_davidson_types.F ./outer_scf_control_types.F ./fp_types.F ./topology_multiple_unit_cell.F ./qs_scf_block_davidson.F ./constraint_3x3.F ./input_cp2k_atprop.F ./pexsi_interface.F ./mm_mapping_library.F ./qs_operators_ao.F ./sap_kind_types.F ./ewald_spline_util.F ./qs_tensors.F ./qs_density_mixing_types.F ./uff_vdw_radii_table.F ./xas_tp_scf.F ./cryssym.F ./rpa_communication.F ./xas_restart.F ./kg_environment.F ./qs_scf_types.F ./mscfg_types.F ./qs_gamma2kp.F ./qs_linres_atom_current.F ./pair_potential_types.F ./mao_wfn_analysis.F ./input_cp2k_distribution.F ./qs_fb_env_types.F ./scf_control_types.F ./qs_spin_orbit.F ./atom_xc.F ./cp_ddapc_forces.F ./mp2_gpw.F ./submatrix_dissection.F ./hfx_communication.F ./atom_operators.F ./qs_fb_distribution_methods.F ./cp_realspace_grid_cube.F ./qmmm_force.F ./cp_control_utils.F ./qs_ks_qmmm_methods.F ./core_ae.F ./qs_ot_minimizer.F ./input_cp2k_ec.F ./qs_linres_current.F ./input_optimize_input.F ./fist_environment.F ./ewald_pw_types.F ./sirius_interface.F ./pw_env/cp_spline_utils.F ./pw_env/gaussian_gridlevels.F ./pw_env/rs_pw_interface.F ./pw_env/pw_env_types.F ./qs_localization_methods.F ./hfx_admm_utils.F ./pao_linpot_full.F ./qs_dos.F ./qs_fb_matrix_data_types.F ./qmmm_gaussian_init.F ./preconditioner_makes.F ./semi_empirical_mpole_methods.F ./f77_interface.F ./emd/rt_delta_pulse.F ./emd/rt_propagator_init.F ./emd/rt_propagation_methods.F ./emd/rt_propagation_output.F ./emd/rt_make_propagators.F ./emd/rt_hfx_utils.F ./emd/rt_propagation_utils.F ./atom_types.F ./manybody_gal.F ./rpa_gw_ic.F ./mdctrl_types.F ./cp2k_debug.F ./qs_linres_issc_utils.F ./qs_rho_atom_methods.F ./input_cp2k_mixed.F ./qs_elec_field.F ./qs_o3c_methods.F ./qs_fb_atomic_matrix_methods.F ./qs_force_types.F ./force_fields_ext.F ./rpa_axk.F ./se_fock_matrix_integrals.F ./xas_control.F ./qs_pdos.F ./qs_tddfpt_utils.F ./input_cp2k_rsgrid.F ./qmmmx_types.F ./xtb_matrices.F ./minbas_wfn_analysis.F ./arnoldi/arnoldi_geev.F ./arnoldi/arnoldi_types.F ./arnoldi/arnoldi_data_methods.F ./arnoldi/arnoldi_api.F ./arnoldi/arnoldi_methods.F ./almo_scf.F ./molecular_dipoles.F ./qs_ot_eigensolver.F ./qmmm_types.F ./qs_kpp1_env_types.F ./kg_environment_types.F ./pao_param_exp.F ./mol_force.F ./hfx_derivatives.F ./qs_linres_current_utils.F ./pair_potential.F ./qs_gspace_mixing.F ./basis_set_output.F ./negf_green_methods.F ./qs_elf_methods.F ./response_solver.F ./qs_active_space_types.F ./preconditioner_apply.F ./semi_empirical_store_int_types.F ./xtb_types.F ./colvar_methods.F ./optimize_embedding_potential.F ./embed_types.F ./qs_collocate_density.F ./cp_ddapc_methods.F ./fist_neighbor_list_types.F ./qs_fb_filter_matrix_methods.F ./cp_dbcsr_output.F ./pao_ml.F ./xc_adiabatic_utils.F ./xas_tdp_kernel.F ./dkh_main.F ./manybody_potential.F ./group_dist_types.F ./exclusion_types.F ./csvr_system_utils.F ./replica_methods.F ./mp2_cphf.F ./mp2_laplace.F ./qs_tddfpt2_stda_utils.F ./mixed_main.F ./mm_collocate_potential.F ./qs_energy.F ./negf_integr_utils.F ./localization_tb.F ./qs_fb_buffer_types.F ./hfx_load_balance_methods.F ./qs_dftb_dispersion.F ./qs_dispersion_pairpot.F ./qs_overlap.F ./dm_ls_scf.F ./lri_ks_methods.F ./mp2_ri_2c.F ./qs_tddfpt2_utils.F ./lri_integrals.F ./input_cp2k_poisson.F ./qs_external_density.F ./input_cp2k_binary_restarts.F ./qs_p_env_methods.F ./pao_ml_gaussprocess.F ./qs_grid_atom.F ./transport.F ./qs_tddfpt2_stda_types.F ./fist_energy_types.F ./preconditioner.F ./input_cp2k_motion_print.F ./fm/cp_cfm_basic_linalg.F ./fm/cp_fm_diag.F ./fm/cp_cfm_types.F ./fm/cp_fm_struct.F ./fm/cp_fm_types.F ./fm/cp_fm_vect.F ./fm/cp_linked_list_fm.F ./fm/cp_cfm_diag.F ./fm/cp_blacs_env.F ./fm/cp_blacs_calls.F ./fm/cp_fm_diag_utils.F ./fm/cp_fm_pool_types.F ./fm/cp_fm_cholesky.F ./fm/cp_fm_basic_linalg.F ./fm/cp_fm_elpa.F ./mp2_eri_gpw.F ./qs_moments.F ./se_fock_matrix_dbg.F ./qs_force.F ./linesearch.F ./qs_linres_epr_ownutils.F ./subcell_types.F ./distribution_2d_types.F ./qs_outer_scf.F ./input_cp2k_restarts_util.F ./optimize_input.F ./admm_types.F ./negf_integr_cc.F ./rpa_gw_kpoints.F ./qs_tddfpt2_operators.F ./input_cp2k_almo.F ./qs_ks_types.F ./qs_linres_module.F ./force_env_types.F ./xtb_ehess.F ./qs_nl_hash_table_types.F ./ct_types.F ./statistical_methods.F ./task_list_methods.F ./xas_tdp_types.F ./qs_matrix_pools.F ./pilaenv_hack.F ./input_cp2k_kpoints.F ./atom_output.F ./qs_diis.F ./input_cp2k_embed.F ./xas_tdp_integrals.F ./qs_interactions.F ./topology_xtl.F ./qs_linres_methods.F ./wannier_states_types.F ./input_cp2k_neb.F ./atom_sgp.F ./negf_green_cache.F ./xc_pot_saop.F ./qs_linres_nmr_epr_common_utils.F ./start/libcp2k.F ./start/input_cp2k_motion.F ./start/cp2k_runs.F ./start/cp2k.F ./start/input_cp2k.F ./start/cp2k_shell.F ./external_potential_methods.F ./cp_ddapc.F ./lri_environment_methods.F ./negf_matrix_utils.F ./qs_ot_scf.F ./qmmm_tb_coulomb.F ./qs_loc_types.F ./wannier_states.F ./ri_environment_methods.F ./iterate_matrix.F ./fist_neighbor_list_control.F ./qmmm_se_forces.F ./fermi_utils.F ./topology_xyz.F ./qs_energy_matrix_w.F ./beta_gamma_psi.F ./pao_param.F ./xas_env_types.F ./dm_ls_scf_qs.F ./csvr_system_types.F ./voronoi_interface.F ./qs_linres_types.F ./taper_types.F ./input_cp2k_eip.F ./atom.F ./qs_rho_types.F ./almo_scf_diis_types.F ./optbas_fenv_manipulation.F ./dm_ls_scf_methods.F ./mp2_optimize_ri_basis.F ./qs_dispersion_types.F ./ec_environment.F ./negf_alloc_types.F ./mixed_cdft_methods.F ./qs_scf_wfn_mix.F ./rt_propagation_forces.F ./topology.F ./qmmm_create.F ./bsse.F ./fist_nonbond_env_types.F ./qs_scf_methods.F ./xas_tdp_methods.F ./qs_sccs.F ./hfx_compression_methods.F ./qs_ks_methods.F ./qs_tddfpt2_eigensolver.F ./et_coupling.F ./qs_local_rho_types.F ./atom_energy.F ./dm_ls_scf_types.F ./spme.F ./xray_diffraction.F ./fist_force.F ./eip_environment_types.F ./qs_update_s_mstruct.F ./pao_optimizer.F ./negf_methods.F ./pao_ml_descriptor.F ./qs_oce_methods.F ./pao_potentials.F ./qmmmx_util.F ./qs_mom_methods.F ./core_ppnl.F ./qs_environment.F ./hfx_helpers.F ./almo_scf_env_methods.F ./ewald_pw_methods.F ./qmmm_links_methods.F ./efield_tb_methods.F ./pao_param_gth.F ./qs_tddfpt2_properties.F ./topology_gromos.F ./mixed_cdft_utils.F ./qmmm_gpw_forces.F ./topology_constraint_util.F ./cp_eri_mme_interface.F ./qs_integral_utils.F ./input_cp2k_ls.F ./eri_mme/eri_mme_util.F ./eri_mme/eri_mme_gaussian.F ./eri_mme/eri_mme_error_control.F ./eri_mme/eri_mme_lattice_summation.F ./eri_mme/eri_mme_integrate.F ./eri_mme/eri_mme_test.F ./eri_mme/eri_mme_types.F ./mp2.F ./kg_vertex_coloring_methods.F ./qs_loc_states.F ./qs_chargemol.F ./pao_param_linpot.F ./topology_amber.F ./commutator_rpnl.F ./negf_vectors.F ./qs_dftb_matrices.F ./mixed_environment_utils.F ./qs_band_structure.F ./qs_energy_window.F ./lri_optimize_ri_basis_types.F ./input_cp2k_qmmm.F ./xc_adiabatic_methods.F ./xas_tdp_correction.F ./nnp_force.F ./fist_environment_types.F ./topology_psf.F ./semi_empirical_expns3_types.F ./bse.F ./qs_rho0_methods.F ./replica_types.F ./domain_submatrix_methods.F ./atom_upf.F ./manybody_siepmann.F ./ewalds_multipole.F ./qs_mo_methods.F ./molecular_states.F ./pw_poisson_read_input.F ./qs_integrate_potential_product.F ./libint_2c_3c.F ./hartree_local_methods.F ./qs_fb_hash_table_types.F ./negf_integr_simpson.F ./mixed_energy_types.F ./mp2_direct_method.F ./environment.F ./pao_io.F ./qs_efield_berry.F ./qmmm_se_energy.F ./pao_methods.F ./qmmm_tb_methods.F ./dft_plus_u.F ./semi_empirical_mpole_types.F ./input_cp2k_free_energy.F ./rpa_im_time.F ./semi_empirical_int_debug.F ./moments_utils.F ./input_optimize_basis.F ./qs_diis_types.F ./semi_empirical_integrals.F ./topology_types.F ./splines_methods.F ./fist_pol_scf.F ./qs_core_hamiltonian.F ./qs_environment_types.F ./preconditioner_types.F ./qs_dftb_utils.F ./global_types.F ./qs_fb_atomic_halo_types.F ./qs_fb_input.F ./eip_silicon.F ./cp_symmetry.F ./topology_coordinate_util.F ./qs_linres_nmr_shift.F ./qs_resp.F ./farming_types.F ./semi_empirical_types.F ./qs_dftb_types.F ./pao_types.F ./fist_efield_types.F ./nnp_acsf.F ./stm_images.F ./semi_empirical_utils.F ./qs_tddfpt_eigensolver.F ./qs_ks_utils.F ./wannier90.F ./qs_scf_output.F ./qmmmx_create.F ./grid/grid_api.F ./mp2_eri.F ./se_core_matrix.F ./mixed_environment_types.F ./qs_rho_methods.F ./tmc/tmc_analysis_types.F ./tmc/tmc_messages.F ./tmc/tmc_utils.F ./tmc/tmc_types.F ./tmc/tmc_tree_acceptance.F ./tmc/tmc_stati.F ./tmc/tmc_cancelation.F ./tmc/tmc_tree_references.F ./tmc/tmc_move_handle.F ./tmc/tmc_worker.F ./tmc/tmc_analysis.F ./tmc/tmc_master.F ./tmc/tmc_tree_types.F ./tmc/tmc_calculations.F ./tmc/tmc_tree_search.F ./tmc/tmc_file_io.F ./tmc/input_cp2k_tmc.F ./tmc/tmc_moves.F ./tmc/tmc_move_types.F ./tmc/tmc_tree_build.F ./tmc/tmc_setup.F ./tmc/tmc_dot_tree.F ./admm_utils.F ./topology_cp2k.F ./commutator_rkinetic.F ./restraint.F ./input_cp2k_nnp.F ./input_cp2k_resp.F ./subsys/force_field_kind_types.F ./subsys/particle_list_types.F ./subsys/multipole_types.F ./subsys/molecule_list_types.F ./subsys/atomic_kind_list_types.F ./subsys/shell_potential_types.F ./subsys/atomic_kind_types.F ./subsys/cell_types.F ./subsys/atprop_types.F ./subsys/particle_types.F ./subsys/molecule_types.F ./subsys/cp_subsys_types.F ./subsys/virial_types.F ./subsys/external_potential_types.F ./subsys/colvar_types.F ./subsys/damping_dipole_types.F ./subsys/molecule_kind_types.F ./subsys/molecule_kind_list_types.F ./mp2_grids.F ./almo_scf_types.F ./qs_energy_utils.F ./atom_fit.F ./nnp_environment_types.F ./qs_fb_trial_fns_types.F ./qs_neighbor_lists.F ./xas_tdp_atom.F ./input_cp2k_loc.F ./shg_int/generic_shg_integrals.F ./shg_int/constants_operator.F ./shg_int/generic_shg_integrals_init.F ./shg_int/construct_shg.F ./shg_int/s_contract_shg.F ./fist_efield_methods.F ./topology_pdb.F ./qs_loc_dipole.F ./qs_scf_post_gpw.F ./qs_mo_io.F ./hartree_local_types.F ./virial_methods.F ./qs_kinetic.F ./fist_main.F ./qs_loc_molecules.F ./pair_potential_util.F ./qs_scf_diagonalization.F ./lri_optimize_ri_basis.F ./metadynamics.F ./qs_scf_post_tb.F ./ec_efield_local.F ./qs_kind_types.F ./cp_ddapc_util.F ./mscfg_methods.F ./qs_fb_env_methods.F ./kpoint_methods.F ./qs_gapw_densities.F ./input_cp2k_mm.F ./xas_tdp_utils.F ./atom_admm_methods.F ./mao_methods.F ./qs_cdft_scf_utils.F ./negf_control_types.F ./cp_gemm_interface.F ./libint_wrapper.F ./input_cp2k_properties_dft.F ./qs_hash_table_functions.F ./population_analyses.F ./pw/fpga/fft_fpga.c ./pw/fpga/opencl_utils.c ./base/machine_cpuid.c ./sockets.c ./start/libcp2k_unittest.c ./grid/cpu/grid_integrate_dgemm.c ./grid/cpu/grid_collocate_dgemm.c ./grid/cpu/utils.c ./grid/cpu/tensor_local.c ./grid/cpu/collocation_integration.c ./grid/cpu/coefficients.c ./grid/cpu/grid_context_cpu.c ./grid/cpu/non_orthorombic_corrections.c ./grid/cpu/grid_prepare_pab_dgemm.c ./grid/grid_miniapp.c ./grid/common/grid_library.c ./grid/common/grid_basis_set.c ./grid/common/grid_sphere_cache.c ./grid/common/grid_buffer.c ./grid/hybrid/grid_collocate_hybrid.c ./grid/hybrid/grid_integrate_hybrid.c ./grid/ref/grid_ref_prepare_pab.c ./grid/ref/grid_ref_integrate.c ./grid/ref/grid_ref_task_list.c ./grid/ref/grid_ref_collocate.c ./grid/grid_replay.c ./grid/grid_task_list.c ./grid/grid_unittest.c /build/reproducible-path/cp2k-8.1/exts/Makefile.inc:16: target 'dbcsr' does not exist /usr/bin/make -C /build/reproducible-path/cp2k-8.1/exts/dbcsr -f .cp2k/Makefile \ - INCLUDEMAKE=/build/reproducible-path/cp2k-8.1/arch/Linux-i686-gfortran.psmp \ - LIBDIR=/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr \ - OBJDIR=/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr \ + INCLUDEMAKE=/build/reproducible-path/cp2k-8.1/arch/Linux-x86_64-gfortran.psmp \ + LIBDIR=/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr \ + OBJDIR=/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr \ ACC="" \ ACCFLAGS="" .cp2k/Makefile:209: target 'dirs' does not exist -mkdir -p /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr -mkdir -p /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr -.cp2k/Makefile:248: update target 'makedep' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_tests.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/hip/dbcsr_hipblas.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_timings.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_init.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/cuda/dbcsr_cuda_profiling.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_internal.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_kinds.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_hooks.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_base_type.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_lib.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_files.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_min_heap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/acc_bench_smm.c /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/acc_bench_trans.c /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dbcsr.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/acc_libsmm.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/hip/acc_hip.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/acc.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/cuda/acc_error.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/cuda/acc_blas.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/cuda/acc_cuda.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/parameters_utils.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libsmm_acc_benchmark.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libsmm_acc.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_common.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_largeDB1.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_tiny.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_transpose.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_largeDB2.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_medium.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_small.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libsmm_acc_init.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/hip/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/cuda/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libcusmm/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/PACKAGE dirs +mkdir -p /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr +mkdir -p /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr +.cp2k/Makefile:248: update target 'makedep' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_hooks.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_kinds.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_internal.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_lib.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_base_type.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_tests.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_min_heap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_files.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_timings.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/cuda/dbcsr_cuda_profiling.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/hip/dbcsr_hipblas.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_init.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/acc_bench_smm.c /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/acc_bench_trans.c /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dbcsr.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/acc.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/cuda/acc_blas.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/cuda/acc_error.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/cuda/acc_cuda.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/parameters_utils.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libsmm_acc_benchmark.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_largeDB2.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_tiny.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_transpose.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_medium.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_small.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_largeDB1.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_common.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libsmm_acc.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libsmm_acc_init.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/acc_libsmm.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/hip/acc_hip.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.h /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/cuda/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libcusmm/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/hip/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/PACKAGE /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/PACKAGE dirs echo "Removing stale archives ... " Removing stale archives ... -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/check_archives.py ar /build/reproducible-path/cp2k-8.1/exts/dbcsr/src /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/check_archives.py ar /build/reproducible-path/cp2k-8.1/exts/dbcsr/src /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr echo "Resolving dependencies ... " Resolving dependencies ... -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/makedep.py /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/all.dep dbcsr "lower" "normal" .a /build/reproducible-path/cp2k-8.1/exts/dbcsr/src ./mpi/dbcsr_mp_operations.F ./mpi/dbcsr_mpiwrap.F ./mpi/dbcsr_mp_methods.F ./ops/dbcsr_csr_conversions.F ./ops/dbcsr_test_methods.F ./ops/dbcsr_operations.F ./ops/dbcsr_transformations.F ./ops/dbcsr_tests.F ./ops/dbcsr_io.F ./work/dbcsr_work_operations.F ./dist/dbcsr_dist_methods.F ./dist/dbcsr_dist_util.F ./dist/dbcsr_dist_operations.F ./data/dbcsr_ptr_util.F ./data/dbcsr_data_methods_low.F ./data/dbcsr_data_methods.F ./data/dbcsr_data_types.F ./data/dbcsr_mem_methods.F ./data/dbcsr_data_operations.F ./block/dbcsr_block_access.F ./block/dbcsr_block_operations.F ./block/dbcsr_index_operations.F ./block/dbcsr_iterator_operations.F ./tensors/dbcsr_tensor_io.F ./tensors/dbcsr_tensor.F ./tensors/dbcsr_tensor_types.F ./tensors/dbcsr_tensor_test.F ./tensors/dbcsr_tensor_block.F ./tensors/dbcsr_tensor_index.F ./tensors/dbcsr_allocate_wrap.F ./tensors/dbcsr_tensor_api.F ./tensors/dbcsr_array_list_methods.F ./tensors/dbcsr_tensor_reshape.F ./tensors/dbcsr_tensor_split.F ./acc/dbcsr_acc_devmem.F ./acc/hip/dbcsr_hipblas.F ./acc/dbcsr_acc_stream.F ./acc/dbcsr_acc_timings.F ./acc/dbcsr_acc_init.F ./acc/cuda/dbcsr_cuda_profiling.F ./acc/dbcsr_acc_device.F ./acc/dbcsr_acc_hostmem.F ./acc/dbcsr_acc_event.F ./base/dbcsr_machine_internal.F ./base/dbcsr_kinds.F ./base/dbcsr_base_hooks.F ./base/dbcsr_machine.F ./tas/dbcsr_tas_util.F ./tas/dbcsr_tas_base.F ./tas/dbcsr_tas_mm.F ./tas/dbcsr_tas_test.F ./tas/dbcsr_tas_types.F ./tas/dbcsr_tas_split.F ./tas/dbcsr_tas_global.F ./tas/dbcsr_tas_io.F ./tas/dbcsr_tas_reshape_ops.F ./core/dbcsr_list_routinereport.F ./core/dbcsr_list.F ./core/dbcsr_log_handling.F ./core/dbcsr_list_callstackentry.F ./core/dbcsr_timings_base_type.F ./core/dbcsr_error_handling.F ./core/dbcsr_dict.F ./core/dbcsr_timings_types.F ./core/dbcsr_config.F ./core/dbcsr_timings.F ./core/dbcsr_list_routinestat.F ./core/dbcsr_timings_report.F ./core/dbcsr_iter_types.F ./core/dbcsr_list_timerenv.F ./core/dbcsr_array_types.F ./core/dbcsr_print_messages.F ./core/dbcsr_types.F ./core/dbcsr_methods.F ./core/dbcsr_lib.F ./mm/dbcsr_mm_cannon.F ./mm/dbcsr_mm_types.F ./mm/dbcsr_mm_csr.F ./mm/dbcsr_mm_3d.F ./mm/dbcsr_multiply_api.F ./mm/dbcsr_mm_common.F ./mm/dbcsr_mm.F ./mm/dbcsr_mm_accdrv.F ./mm/dbcsr_mm_hostdrv.F ./mm/dbcsr_mm_dist_operations.F ./mm/dbcsr_acc_operations.F ./mm/dbcsr_mm_multrec.F ./mm/dbcsr_mm_sched.F ./dbcsr_api.F ./utils/dbcsr_files.F ./utils/dbcsr_toollib.F ./utils/dbcsr_blas_operations.F ./utils/dbcsr_min_heap.F ./utils/dbcsr_array_sort.F ./utils/dbcsr_btree.F ./utils/dbcsr_string_utilities.F ./acc/acc_bench_smm.c ./acc/acc_bench_trans.c +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/makedep.py /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/all.dep dbcsr "lower" "normal" .a /build/reproducible-path/cp2k-8.1/exts/dbcsr/src ./block/dbcsr_index_operations.F ./block/dbcsr_block_access.F ./block/dbcsr_block_operations.F ./block/dbcsr_iterator_operations.F ./mpi/dbcsr_mp_methods.F ./mpi/dbcsr_mpiwrap.F ./mpi/dbcsr_mp_operations.F ./base/dbcsr_base_hooks.F ./base/dbcsr_machine.F ./base/dbcsr_kinds.F ./base/dbcsr_machine_internal.F ./core/dbcsr_list_callstackentry.F ./core/dbcsr_timings_report.F ./core/dbcsr_log_handling.F ./core/dbcsr_config.F ./core/dbcsr_methods.F ./core/dbcsr_timings_types.F ./core/dbcsr_lib.F ./core/dbcsr_timings.F ./core/dbcsr_iter_types.F ./core/dbcsr_list_routinestat.F ./core/dbcsr_list_timerenv.F ./core/dbcsr_list_routinereport.F ./core/dbcsr_print_messages.F ./core/dbcsr_timings_base_type.F ./core/dbcsr_error_handling.F ./core/dbcsr_list.F ./core/dbcsr_array_types.F ./core/dbcsr_dict.F ./core/dbcsr_types.F ./work/dbcsr_work_operations.F ./tas/dbcsr_tas_util.F ./tas/dbcsr_tas_mm.F ./tas/dbcsr_tas_split.F ./tas/dbcsr_tas_global.F ./tas/dbcsr_tas_test.F ./tas/dbcsr_tas_io.F ./tas/dbcsr_tas_types.F ./tas/dbcsr_tas_base.F ./tas/dbcsr_tas_reshape_ops.F ./ops/dbcsr_test_methods.F ./ops/dbcsr_operations.F ./ops/dbcsr_transformations.F ./ops/dbcsr_io.F ./ops/dbcsr_tests.F ./ops/dbcsr_csr_conversions.F ./mm/dbcsr_mm_multrec.F ./mm/dbcsr_mm.F ./mm/dbcsr_mm_cannon.F ./mm/dbcsr_mm_csr.F ./mm/dbcsr_mm_hostdrv.F ./mm/dbcsr_mm_dist_operations.F ./mm/dbcsr_mm_3d.F ./mm/dbcsr_mm_common.F ./mm/dbcsr_multiply_api.F ./mm/dbcsr_mm_types.F ./mm/dbcsr_acc_operations.F ./mm/dbcsr_mm_accdrv.F ./mm/dbcsr_mm_sched.F ./utils/dbcsr_array_sort.F ./utils/dbcsr_toollib.F ./utils/dbcsr_string_utilities.F ./utils/dbcsr_min_heap.F ./utils/dbcsr_btree.F ./utils/dbcsr_blas_operations.F ./utils/dbcsr_files.F ./acc/dbcsr_acc_timings.F ./acc/dbcsr_acc_event.F ./acc/dbcsr_acc_devmem.F ./acc/dbcsr_acc_stream.F ./acc/cuda/dbcsr_cuda_profiling.F ./acc/hip/dbcsr_hipblas.F ./acc/dbcsr_acc_hostmem.F ./acc/dbcsr_acc_init.F ./acc/dbcsr_acc_device.F ./tensors/dbcsr_tensor_block.F ./tensors/dbcsr_tensor_io.F ./tensors/dbcsr_tensor.F ./tensors/dbcsr_tensor_reshape.F ./tensors/dbcsr_tensor_test.F ./tensors/dbcsr_tensor_api.F ./tensors/dbcsr_tensor_types.F ./tensors/dbcsr_tensor_split.F ./tensors/dbcsr_tensor_index.F ./tensors/dbcsr_allocate_wrap.F ./tensors/dbcsr_array_list_methods.F ./data/dbcsr_data_types.F ./data/dbcsr_data_methods.F ./data/dbcsr_data_operations.F ./data/dbcsr_mem_methods.F ./data/dbcsr_ptr_util.F ./data/dbcsr_data_methods_low.F ./dbcsr_api.F ./dist/dbcsr_dist_methods.F ./dist/dbcsr_dist_operations.F ./dist/dbcsr_dist_util.F ./acc/acc_bench_smm.c ./acc/acc_bench_trans.c .cp2k/Makefile:206: update target 'libdbcsr' due to: dirs makedep -/usr/bin/make --no-print-directory -C /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr -f /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a INCLUDE_DEPS=true DBCSRHOME=/build/reproducible-path/cp2k-8.1/exts/dbcsr +/usr/bin/make --no-print-directory -C /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr -f /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a INCLUDE_DEPS=true DBCSRHOME=/build/reproducible-path/cp2k-8.1/exts/dbcsr /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_kinds.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_kinds.F python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_kinds.F dbcsr_kinds.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_kinds.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_kinds.F90 @@ -1368,130 +1403,140 @@ Warning: 'getpid' declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_machine_internal.mod' due to: dbcsr_machine_internal.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_internal.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90 dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_machine.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_kinds.mod dbcsr_machine_internal.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_machine.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine_internal.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_machine.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_machine.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_machine.mod' due to: dbcsr_machine.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_kinds.mod dbcsr_machine_internal.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_machine.mod' due to: dbcsr_machine.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine_internal.mod dbcsr_kinds.mod true /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_base_hooks.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_machine.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_base_hooks.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_base_hooks.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_base_hooks.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_base_hooks.mod' due to: dbcsr_base_hooks.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_machine.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_array_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F dbcsr_array_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_types.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_array_types.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_array_types.mod' due to: dbcsr_array_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod -true /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_stream.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F dbcsr_acc_stream.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_stream.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_stream.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_stream.mod' due to: dbcsr_acc_stream.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_event.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_acc_stream.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F dbcsr_acc_event.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_event.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_event.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_event.mod' due to: dbcsr_acc_event.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_acc_stream.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_devmem.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_devmem.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F dbcsr_acc_devmem.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_devmem.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_devmem.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_devmem.mod' due to: dbcsr_acc_devmem.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_devmem.mod' due to: dbcsr_acc_devmem.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_event.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_base_hooks.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F dbcsr_acc_event.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_event.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_event.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_event.mod' due to: dbcsr_acc_event.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_base_hooks.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_acc_event.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod dbcsr_acc_event.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F dbcsr_data_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_types.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_data_types.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_types.mod' due to: dbcsr_data_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_acc_event.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_types.mod' due to: dbcsr_data_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod dbcsr_acc_event.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_array_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F dbcsr_array_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_types.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_array_types.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_array_types.mod' due to: dbcsr_array_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_btree.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.fypp python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.F dbcsr_btree.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_btree.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_btree.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_btree.mod' due to: dbcsr_btree.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.fypp true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_array_types.mod dbcsr_data_types.mod dbcsr_kinds.mod dbcsr_btree.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_data_types.mod dbcsr_array_types.mod dbcsr_btree.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_types.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_types.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_types.mod' due to: dbcsr_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_array_types.mod dbcsr_data_types.mod dbcsr_kinds.mod dbcsr_btree.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_types.mod' due to: dbcsr_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_data_types.mod dbcsr_array_types.mod dbcsr_btree.mod dbcsr_kinds.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_array_sort.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.fypp dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F dbcsr_array_sort.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_sort.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_array_sort.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_array_sort.mod' due to: dbcsr_array_sort.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.fypp dbcsr_kinds.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_toollib.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_sort.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F dbcsr_toollib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_toollib.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_toollib.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_toollib.mod' due to: dbcsr_toollib.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_sort.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mpiwrap.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.fypp dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mpiwrap.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F dbcsr_mpiwrap.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mpiwrap.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mpiwrap.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mpiwrap.mod' due to: dbcsr_mpiwrap.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.fypp dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mpiwrap.mod' due to: dbcsr_mpiwrap.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_device.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F dbcsr_acc_device.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_device.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_device.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_device.mod' due to: dbcsr_acc_device.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_hostmem.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_hostmem.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F dbcsr_acc_hostmem.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_hostmem.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_hostmem.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_hostmem.mod' due to: dbcsr_acc_hostmem.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_hostmem.mod' due to: dbcsr_acc_hostmem.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_ptr_util.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_acc_hostmem.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_ptr_util.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_hostmem.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_ptr_util.F dbcsr_ptr_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_ptr_util.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_ptr_util.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_ptr_util.mod' due to: dbcsr_ptr_util.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_acc_hostmem.mod dbcsr_kinds.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_config.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mpiwrap.mod dbcsr_acc_device.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_ptr_util.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F dbcsr_config.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_config.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_config.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_config.mod' due to: dbcsr_config.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mpiwrap.mod dbcsr_acc_device.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_ptr_util.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_ptr_util.mod' due to: dbcsr_ptr_util.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_hostmem.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_methods_low.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_acc_event.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_methods_low.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod dbcsr_acc_event.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F dbcsr_data_methods_low.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_methods_low.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_data_methods_low.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_methods_low.mod' due to: dbcsr_data_methods_low.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_acc_event.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_methods_low.mod' due to: dbcsr_data_methods_low.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod dbcsr_acc_event.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mem_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_data_methods_low.mod dbcsr_acc_stream.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mem_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_data_methods_low.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_mem_methods.F dbcsr_mem_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mem_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mem_methods.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mem_methods.mod' due to: dbcsr_mem_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_data_methods_low.mod dbcsr_acc_stream.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mem_methods.mod' due to: dbcsr_mem_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_data_methods_low.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_data_methods_low.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_mem_methods.mod dbcsr_ptr_util.mod dbcsr_acc_event.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod dbcsr_acc_event.mod dbcsr_data_methods_low.mod dbcsr_mem_methods.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F dbcsr_data_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_data_methods.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_methods.mod' due to: dbcsr_data_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_data_methods_low.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_mem_methods.mod dbcsr_ptr_util.mod dbcsr_acc_event.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_methods.mod' due to: dbcsr_data_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod dbcsr_acc_event.mod dbcsr_data_methods_low.mod dbcsr_mem_methods.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_btree.mod dbcsr_ptr_util.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_btree.mod dbcsr_data_methods.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F dbcsr_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_methods.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_methods.mod' due to: dbcsr_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_btree.mod dbcsr_ptr_util.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_methods.mod' due to: dbcsr_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_btree.mod dbcsr_data_methods.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mp_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_base_hooks.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mp_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_methods.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F dbcsr_mp_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mp_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mp_methods.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mp_methods.mod' due to: dbcsr_mp_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_base_hooks.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mp_methods.mod' due to: dbcsr_mp_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_methods.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mp_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_mp_methods.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F dbcsr_mp_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mp_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mp_operations.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_min_heap.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_min_heap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_min_heap.F dbcsr_min_heap.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_min_heap.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_min_heap.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_min_heap.mod' due to: dbcsr_min_heap.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_min_heap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_array_sort.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.fypp dbcsr_kinds.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F dbcsr_array_sort.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_sort.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_array_sort.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_array_sort.mod' due to: dbcsr_array_sort.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.fypp dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_device.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F dbcsr_acc_device.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_device.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_device.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_device.mod' due to: dbcsr_acc_device.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_toollib.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_sort.mod dbcsr_base_hooks.mod dbcsr_kinds.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F dbcsr_toollib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_toollib.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_toollib.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_toollib.mod' due to: dbcsr_toollib.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_sort.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_config.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mpiwrap.mod dbcsr_acc_device.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F dbcsr_config.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_config.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_config.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_config.mod' due to: dbcsr_config.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mpiwrap.mod dbcsr_acc_device.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dist_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_min_heap.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dist_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_min_heap.mod dbcsr_config.mod dbcsr_methods.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F dbcsr_dist_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dist_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_dist_methods.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dist_methods.mod' due to: dbcsr_dist_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_min_heap.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dist_methods.mod' due to: dbcsr_dist_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_min_heap.mod dbcsr_config.mod dbcsr_methods.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dist_util.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dist_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_min_heap.mod dbcsr_dist_methods.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F dbcsr_dist_operations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dist_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_dist_operations.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dist_operations.mod' due to: dbcsr_dist_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_min_heap.mod dbcsr_dist_methods.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_index_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_dist_operations.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_dist_methods.mod dbcsr_methods.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F dbcsr_index_operations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_index_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_index_operations.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_iterator_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F dbcsr_iterator_operations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_iterator_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_iterator_operations.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_iterator_operations.mod' due to: dbcsr_iterator_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dist_util.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F dbcsr_dist_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dist_util.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_dist_util.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dist_util.mod' due to: dbcsr_dist_util.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dist_util.mod' due to: dbcsr_dist_util.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_block_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods_low.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_block_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod dbcsr_data_methods_low.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F dbcsr_block_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_block_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_block_operations.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F:944:61: @@ -1499,11 +1544,28 @@ 944 | dst_sizes(1), dst_sizes(2)) | ^ Warning: 'src_ub[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_block_operations.mod' due to: dbcsr_block_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods_low.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_block_operations.mod' due to: dbcsr_block_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod dbcsr_data_methods_low.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_dist_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_data_methods.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_operations.F dbcsr_data_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_data_operations.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_operations.mod' due to: dbcsr_data_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_dist_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_data_methods.mod dbcsr_block_operations.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_index_operations.mod' due to: dbcsr_index_operations.o +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_string_utilities.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F dbcsr_string_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_string_utilities.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_string_utilities.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_string_utilities.mod' due to: dbcsr_string_utilities.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F dbcsr_kinds.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_work_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_iterator_operations.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_index_operations.mod dbcsr_kinds.mod dbcsr_btree.mod dbcsr_config.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_block_operations.mod dbcsr_mem_methods.mod dbcsr_string_utilities.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F dbcsr_work_operations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_work_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_work_operations.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_work_operations.mod' due to: dbcsr_work_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_iterator_operations.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_index_operations.mod dbcsr_kinds.mod dbcsr_btree.mod dbcsr_config.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_block_operations.mod dbcsr_mem_methods.mod dbcsr_string_utilities.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_block_access.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_dist_operations.mod dbcsr_work_operations.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_index_operations.mod dbcsr_kinds.mod dbcsr_btree.mod dbcsr_config.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_block_operations.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F dbcsr_block_access.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_block_access.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_block_access.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_timings.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_timings.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_timings.F dbcsr_acc_timings.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_timings.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_timings.F90 @@ -1521,174 +1583,146 @@ mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings_base_type.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_timings_base_type.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings_base_type.mod' due to: dbcsr_timings_base_type.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_base_type.F dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_routinereport.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F dbcsr_list_routinereport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_routinereport.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_list_routinereport.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_routinestat.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F dbcsr_list_routinestat.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_routinestat.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_list_routinestat.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_routinestat.mod' due to: dbcsr_list_routinestat.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_routinereport.mod' due to: dbcsr_list_routinereport.o -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_callstackentry.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_callstackentry.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F dbcsr_list_callstackentry.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_list_callstackentry.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_callstackentry.mod' due to: dbcsr_list_callstackentry.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_callstackentry.mod' due to: dbcsr_list_callstackentry.o +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_routinestat.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F dbcsr_list_routinestat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_routinestat.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_list_routinestat.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_routinestat.mod' due to: dbcsr_list_routinestat.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dict.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dict.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F dbcsr_dict.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dict.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_dict.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dict.mod' due to: dbcsr_dict.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dict.mod' due to: dbcsr_dict.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_timings_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_dict.mod dbcsr_list_callstackentry.mod dbcsr_list_routinestat.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_timings_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_list_callstackentry.mod dbcsr_list_routinestat.mod dbcsr_dict.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_timings_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings_types.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_timings_types.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings_types.mod' due to: dbcsr_timings_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_dict.mod dbcsr_list_callstackentry.mod dbcsr_list_routinestat.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_timerenv.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_base_hooks.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F dbcsr_list_timerenv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_timerenv.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_list_timerenv.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_timerenv.mod' due to: dbcsr_list_timerenv.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_base_hooks.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings_types.mod' due to: dbcsr_timings_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_list_callstackentry.mod dbcsr_list_routinestat.mod dbcsr_dict.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_list_routinestat.mod dbcsr_list_routinereport.mod dbcsr_list_callstackentry.mod dbcsr_list_timerenv.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F dbcsr_list.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_list.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_iter_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F dbcsr_iter_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_iter_types.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_iter_types.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_iter_types.mod' due to: dbcsr_iter_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_routinereport.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F dbcsr_list_routinereport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_routinereport.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_list_routinereport.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_routinereport.mod' due to: dbcsr_list_routinereport.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod true /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_files.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_files.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_files.F dbcsr_files.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_files.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_files.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_files.mod' due to: dbcsr_files.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_files.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_string_utilities.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F dbcsr_kinds.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F dbcsr_string_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_string_utilities.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_string_utilities.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_string_utilities.mod' due to: dbcsr_string_utilities.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_timerenv.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_types.mod dbcsr_base_hooks.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F dbcsr_list_timerenv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_timerenv.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_list_timerenv.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_timerenv.mod' due to: dbcsr_list_timerenv.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_types.mod dbcsr_base_hooks.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list.mod' due to: dbcsr_list.o +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_list_callstackentry.mod dbcsr_list_routinereport.mod dbcsr_list_routinestat.mod dbcsr_list_timerenv.mod dbcsr_base_hooks.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F dbcsr_list.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_list.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list.mod' due to: dbcsr_list.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_list_callstackentry.mod dbcsr_list_routinereport.mod dbcsr_list_routinestat.mod dbcsr_list_timerenv.mod dbcsr_base_hooks.mod true /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_cuda_profiling.mod' due to: dbcsr_cuda_profiling.o true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_timings.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_dict.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_list.mod dbcsr_acc_devmem.mod dbcsr_machine.mod dbcsr_cuda_profiling.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_timings.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_timings_types.mod dbcsr_list.mod dbcsr_cuda_profiling.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_dict.mod dbcsr_machine.mod dbcsr_acc_devmem.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F dbcsr_timings.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_timings.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings.mod' due to: dbcsr_timings.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_dict.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_list.mod dbcsr_acc_devmem.mod dbcsr_machine.mod dbcsr_cuda_profiling.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings.mod' due to: dbcsr_timings.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_timings_types.mod dbcsr_list.mod dbcsr_cuda_profiling.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_dict.mod dbcsr_machine.mod dbcsr_acc_devmem.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_log_handling.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_iter_types.mod dbcsr_types.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_files.mod dbcsr_kinds.mod dbcsr_string_utilities.mod dbcsr_machine.mod dbcsr_timings.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_log_handling.F dbcsr_log_handling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_log_handling.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_log_handling.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_log_handling.mod' due to: dbcsr_log_handling.o -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_print_messages.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F dbcsr_print_messages.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_print_messages.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_print_messages.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_print_messages.mod' due to: dbcsr_print_messages.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_error_handling.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_log_handling.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_print_messages.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_error_handling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_error_handling.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_error_handling.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_timings_report.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_types.mod dbcsr_timings_base_type.mod dbcsr_dict.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_base_hooks.mod dbcsr_files.mod dbcsr_list_routinereport.mod dbcsr_kinds.mod dbcsr_timings.mod dbcsr_list.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_timings_report.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_timings_base_type.mod dbcsr_timings_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_list_routinereport.mod dbcsr_files.mod dbcsr_list.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_dict.mod dbcsr_timings.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_report.F dbcsr_timings_report.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings_report.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_timings_report.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dist_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_min_heap.mod dbcsr_toollib.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F dbcsr_dist_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dist_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_dist_operations.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dist_operations.mod' due to: dbcsr_dist_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_min_heap.mod dbcsr_toollib.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_blas_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F dbcsr_blas_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_blas_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_blas_operations.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_blas_operations.mod' due to: dbcsr_blas_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_index_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_toollib.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F dbcsr_index_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_index_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_index_operations.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_index_operations.mod' due to: dbcsr_index_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_toollib.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_iterator_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_toollib.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F dbcsr_iterator_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_iterator_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_iterator_operations.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_iterator_operations.mod' due to: dbcsr_iterator_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_toollib.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_operations.mod' due to: dbcsr_data_operations.o -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_work_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_iterator_operations.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_mem_methods.mod dbcsr_btree.mod dbcsr_ptr_util.mod dbcsr_string_utilities.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_data_operations.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F dbcsr_work_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_work_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_work_operations.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_work_operations.mod' due to: dbcsr_work_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_iterator_operations.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_mem_methods.mod dbcsr_btree.mod dbcsr_ptr_util.mod dbcsr_string_utilities.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_data_operations.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_block_access.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_index_operations.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_btree.mod dbcsr_mp_methods.mod dbcsr_ptr_util.mod dbcsr_toollib.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F dbcsr_block_access.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_block_access.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_block_access.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_block_access.mod' due to: dbcsr_block_access.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_index_operations.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_btree.mod dbcsr_mp_methods.mod dbcsr_ptr_util.mod dbcsr_toollib.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_operations.mod dbcsr_config.mod dbcsr_mp_methods.mod dbcsr_blas_operations.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_ptr_util.mod dbcsr_toollib.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_block_operations.mod dbcsr_data_operations.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F dbcsr_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_operations.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_operations.mod' due to: dbcsr_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_operations.mod dbcsr_config.mod dbcsr_mp_methods.mod dbcsr_blas_operations.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_ptr_util.mod dbcsr_toollib.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_block_operations.mod dbcsr_data_operations.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mp_operations.mod' due to: dbcsr_mp_operations.o +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_iter_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F dbcsr_iter_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_iter_types.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_iter_types.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_iter_types.mod' due to: dbcsr_iter_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_transformations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_operations.mod dbcsr_operations.mod dbcsr_mp_methods.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_ptr_util.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_mp_operations.mod dbcsr_block_operations.mod dbcsr_data_operations.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F dbcsr_transformations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_transformations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_transformations.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_transformations.mod' due to: dbcsr_transformations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_operations.mod dbcsr_operations.mod dbcsr_mp_methods.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_ptr_util.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_mp_operations.mod dbcsr_block_operations.mod dbcsr_data_operations.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_log_handling.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_iter_types.mod dbcsr_types.mod dbcsr_files.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_methods.mod dbcsr_string_utilities.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_log_handling.F dbcsr_log_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_log_handling.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_log_handling.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings_report.mod' due to: dbcsr_timings_report.o true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_io.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_mp_operations.mod dbcsr_transformations.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_machine.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F dbcsr_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_io.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_io.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_io.mod' due to: dbcsr_io.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_mp_operations.mod dbcsr_transformations.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_machine.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_init.mod' due to: dbcsr_acc_init.o true /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_types.F python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_types.F dbcsr_mm_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_types.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_types.mod' due to: dbcsr_mm_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_types.F true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_hostdrv.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_hostdrv.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_data_methods.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F dbcsr_mm_hostdrv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_hostdrv.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_hostdrv.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_hostdrv.mod' due to: dbcsr_mm_hostdrv.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_hostdrv.mod' due to: dbcsr_mm_hostdrv.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_data_methods.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_acc_devmem.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F dbcsr_acc_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_operations.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_operations.mod' due to: dbcsr_acc_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_operations.mod' due to: dbcsr_acc_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_acc_devmem.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_accdrv.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_acc_event.mod dbcsr_acc_stream.mod dbcsr_config.mod dbcsr_acc_hostmem.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_mem_methods.mod dbcsr_acc_operations.mod dbcsr_acc_devmem.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_accdrv.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod dbcsr_config.mod dbcsr_acc_event.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_mem_methods.mod dbcsr_acc_operations.mod dbcsr_acc_hostmem.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F dbcsr_mm_accdrv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_accdrv.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_accdrv.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_accdrv.mod' due to: dbcsr_mm_accdrv.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_acc_event.mod dbcsr_acc_stream.mod dbcsr_config.mod dbcsr_acc_hostmem.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_mem_methods.mod dbcsr_acc_operations.mod dbcsr_acc_devmem.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_accdrv.mod' due to: dbcsr_mm_accdrv.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_devmem.mod dbcsr_config.mod dbcsr_acc_event.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_mem_methods.mod dbcsr_acc_operations.mod dbcsr_acc_hostmem.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_sched.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_mm_hostdrv.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_mm_accdrv.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_sched.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_mm_hostdrv.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_mm_accdrv.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F dbcsr_mm_sched.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_sched.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_sched.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_sched.mod' due to: dbcsr_mm_sched.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_mm_hostdrv.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_mm_accdrv.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_sched.mod' due to: dbcsr_mm_sched.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_mm_hostdrv.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_mm_accdrv.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_csr.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_dist_util.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_mm_sched.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_csr.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_dist_util.mod dbcsr_mm_sched.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F dbcsr_mm_csr.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_csr.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_csr.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_csr.mod' due to: dbcsr_mm_csr.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_dist_util.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_mm_sched.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_csr.mod' due to: dbcsr_mm_csr.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_dist_util.mod dbcsr_mm_sched.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_multrec.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_base_hooks.mod dbcsr_mm_csr.mod dbcsr_config.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_multrec.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_mm_csr.mod dbcsr_dist_methods.mod dbcsr_config.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F dbcsr_mm_multrec.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_multrec.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_multrec.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_multrec.mod' due to: dbcsr_mm_multrec.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_base_hooks.mod dbcsr_mm_csr.mod dbcsr_config.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_multrec.mod' due to: dbcsr_mm_multrec.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_mm_csr.mod dbcsr_dist_methods.mod dbcsr_config.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_common.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_methods.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_acc_event.mod dbcsr_acc_stream.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_acc_operations.mod dbcsr_mm_multrec.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F dbcsr_mm_common.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_common.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_common.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_common.mod' due to: dbcsr_mm_common.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_methods.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_acc_event.mod dbcsr_acc_stream.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_ptr_util.mod dbcsr_acc_operations.mod dbcsr_mm_multrec.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_block_access.mod' due to: dbcsr_block_access.o +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_blas_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F dbcsr_blas_operations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_blas_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_blas_operations.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_blas_operations.mod' due to: dbcsr_blas_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_mp_methods.mod dbcsr_block_access.mod dbcsr_methods.mod dbcsr_ptr_util.mod dbcsr_config.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_dist_operations.mod dbcsr_work_operations.mod dbcsr_blas_operations.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_block_operations.mod dbcsr_iterator_operations.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F dbcsr_operations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_operations.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_operations.mod' due to: dbcsr_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_mp_methods.mod dbcsr_block_access.mod dbcsr_methods.mod dbcsr_ptr_util.mod dbcsr_config.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_dist_operations.mod dbcsr_work_operations.mod dbcsr_blas_operations.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_block_operations.mod dbcsr_iterator_operations.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mp_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_data_methods.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F dbcsr_mp_operations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mp_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mp_operations.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mp_operations.mod' due to: dbcsr_mp_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_ptr_util.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_data_methods.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_transformations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_mp_methods.mod dbcsr_block_access.mod dbcsr_methods.mod dbcsr_operations.mod dbcsr_ptr_util.mod dbcsr_mp_operations.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_dist_operations.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_iterator_operations.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F dbcsr_transformations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_transformations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_transformations.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_transformations.mod' due to: dbcsr_transformations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_mp_methods.mod dbcsr_block_access.mod dbcsr_methods.mod dbcsr_operations.mod dbcsr_ptr_util.mod dbcsr_mp_operations.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_dist_operations.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_iterator_operations.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_io.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_mp_operations.mod dbcsr_methods.mod dbcsr_transformations.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F dbcsr_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_io.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_io.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_io.mod' due to: dbcsr_io.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_mp_operations.mod dbcsr_methods.mod dbcsr_transformations.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_dist_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_dist_operations.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_dist_operations.mod dbcsr_base_hooks.mod dbcsr_dist_methods.mod dbcsr_methods.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F dbcsr_mm_dist_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_dist_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_dist_operations.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_dist_operations.mod' due to: dbcsr_mm_dist_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_dist_operations.mod' due to: dbcsr_mm_dist_operations.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_dist_operations.mod dbcsr_base_hooks.mod dbcsr_dist_methods.mod dbcsr_methods.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_common.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_work_operations.mod dbcsr_acc_stream.mod dbcsr_ptr_util.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_event.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_acc_operations.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F dbcsr_mm_common.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_common.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_common.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_common.mod' due to: dbcsr_mm_common.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_work_operations.mod dbcsr_acc_stream.mod dbcsr_ptr_util.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_event.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_acc_operations.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_cannon.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_mp_methods.mod dbcsr_mm_multrec.mod dbcsr_machine.mod dbcsr_acc_event.mod dbcsr_methods.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_io.mod dbcsr_ptr_util.mod dbcsr_mm_dist_operations.mod dbcsr_config.mod dbcsr_mp_operations.mod dbcsr_dist_util.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_iterator_operations.mod dbcsr_mem_methods.mod dbcsr_mm_common.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F dbcsr_mm_cannon.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_cannon.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_cannon.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_cannon.mod' due to: dbcsr_mm_cannon.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_mp_methods.mod dbcsr_mm_multrec.mod dbcsr_machine.mod dbcsr_acc_event.mod dbcsr_methods.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_io.mod dbcsr_ptr_util.mod dbcsr_mm_dist_operations.mod dbcsr_config.mod dbcsr_mp_operations.mod dbcsr_dist_util.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_iterator_operations.mod dbcsr_mem_methods.mod dbcsr_mm_common.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_3d.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_array_types.mod dbcsr_config.mod dbcsr_mem_methods.mod dbcsr_mp_methods.mod dbcsr_acc_event.mod dbcsr_mm_multrec.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_ptr_util.mod dbcsr_mm_common.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_mm_dist_operations.mod dbcsr_work_operations.mod dbcsr_mp_operations.mod dbcsr_block_operations.mod dbcsr_machine.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_3d.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_mp_methods.mod dbcsr_mm_multrec.mod dbcsr_machine.mod dbcsr_acc_event.mod dbcsr_methods.mod dbcsr_ptr_util.mod dbcsr_mm_dist_operations.mod dbcsr_config.mod dbcsr_mp_operations.mod dbcsr_dist_util.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_iterator_operations.mod dbcsr_mem_methods.mod dbcsr_mm_common.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F dbcsr_mm_3d.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_3d.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_3d.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F:1889:63: @@ -1701,31 +1735,42 @@ 1890 | left_buffer_p => left_buffers(ileft_buffer_calc) | ^ Warning: 'ileft_buffer_calc' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_3d.mod' due to: dbcsr_mm_3d.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_array_types.mod dbcsr_config.mod dbcsr_mem_methods.mod dbcsr_mp_methods.mod dbcsr_acc_event.mod dbcsr_mm_multrec.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_ptr_util.mod dbcsr_mm_common.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_mm_dist_operations.mod dbcsr_work_operations.mod dbcsr_mp_operations.mod dbcsr_block_operations.mod dbcsr_machine.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_3d.mod' due to: dbcsr_mm_3d.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_mp_methods.mod dbcsr_mm_multrec.mod dbcsr_machine.mod dbcsr_acc_event.mod dbcsr_methods.mod dbcsr_ptr_util.mod dbcsr_mm_dist_operations.mod dbcsr_config.mod dbcsr_mp_operations.mod dbcsr_dist_util.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_iterator_operations.mod dbcsr_mem_methods.mod dbcsr_mm_common.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_init.mod' due to: dbcsr_acc_init.o -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_cannon.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_array_types.mod dbcsr_config.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_io.mod dbcsr_mem_methods.mod dbcsr_mp_methods.mod dbcsr_acc_event.mod dbcsr_mm_multrec.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_ptr_util.mod dbcsr_mm_common.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_mm_dist_operations.mod dbcsr_work_operations.mod dbcsr_mp_operations.mod dbcsr_block_operations.mod dbcsr_machine.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F dbcsr_mm_cannon.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_cannon.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_cannon.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_cannon.mod' due to: dbcsr_mm_cannon.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_array_types.mod dbcsr_config.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_io.mod dbcsr_mem_methods.mod dbcsr_mp_methods.mod dbcsr_acc_event.mod dbcsr_mm_multrec.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_ptr_util.mod dbcsr_mm_common.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_mm_dist_operations.mod dbcsr_work_operations.mod dbcsr_mp_operations.mod dbcsr_block_operations.mod dbcsr_machine.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_acc_device.mod dbcsr_config.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_io.mod dbcsr_mem_methods.mod dbcsr_mm_3d.mod dbcsr_mp_methods.mod dbcsr_string_utilities.mod dbcsr_mm_multrec.mod dbcsr_methods.mod dbcsr_acc_stream.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_acc_init.mod dbcsr_mm_common.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_kinds.mod dbcsr_mm_dist_operations.mod dbcsr_work_operations.mod dbcsr_mm_cannon.mod dbcsr_machine.mod dbcsr_mm_sched.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_acc_init.mod dbcsr_mm_cannon.mod dbcsr_string_utilities.mod dbcsr_mp_methods.mod dbcsr_mm_multrec.mod dbcsr_mm_3d.mod dbcsr_machine.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_io.mod dbcsr_acc_device.mod dbcsr_mm_sched.mod dbcsr_mm_dist_operations.mod dbcsr_config.mod dbcsr_dist_util.mod dbcsr_work_operations.mod dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_mem_methods.mod dbcsr_methods.mod dbcsr_mm_common.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F dbcsr_mm.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_mm.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm.mod' due to: dbcsr_mm.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_acc_device.mod dbcsr_config.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_io.mod dbcsr_mem_methods.mod dbcsr_mm_3d.mod dbcsr_mp_methods.mod dbcsr_string_utilities.mod dbcsr_mm_multrec.mod dbcsr_methods.mod dbcsr_acc_stream.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_acc_init.mod dbcsr_mm_common.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_index_operations.mod dbcsr_kinds.mod dbcsr_mm_dist_operations.mod dbcsr_work_operations.mod dbcsr_mm_cannon.mod dbcsr_machine.mod dbcsr_mm_sched.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm.mod' due to: dbcsr_mm.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_acc_init.mod dbcsr_mm_cannon.mod dbcsr_string_utilities.mod dbcsr_mp_methods.mod dbcsr_mm_multrec.mod dbcsr_mm_3d.mod dbcsr_machine.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_io.mod dbcsr_acc_device.mod dbcsr_mm_sched.mod dbcsr_mm_dist_operations.mod dbcsr_config.mod dbcsr_dist_util.mod dbcsr_work_operations.mod dbcsr_acc_stream.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_mem_methods.mod dbcsr_methods.mod dbcsr_mm_common.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings_report.mod' due to: dbcsr_timings_report.o +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_print_messages.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F dbcsr_print_messages.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_print_messages.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_print_messages.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_print_messages.mod' due to: dbcsr_print_messages.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_log_handling.mod' due to: dbcsr_log_handling.o true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_error_handling.mod' due to: dbcsr_error_handling.o +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_error_handling.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_print_messages.mod dbcsr_log_handling.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_error_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_error_handling.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_error_handling.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_error_handling.mod' due to: dbcsr_error_handling.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_print_messages.mod dbcsr_log_handling.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_lib.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_lib.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_acc_device.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_mm.mod dbcsr_log_handling.mod dbcsr_timings_report.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_error_handling.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_lib.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_lib.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_timings_report.mod dbcsr_acc_device.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_config.mod dbcsr_mm.mod dbcsr_timings.mod dbcsr_error_handling.mod dbcsr_log_handling.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/dbcsr_lib.F dbcsr_lib.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_lib.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_lib.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_multiply_api.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_mm.mod dbcsr_data_methods.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_multiply_api.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_mm.mod dbcsr_data_methods.mod dbcsr_methods.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F dbcsr_multiply_api.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_multiply_api.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_multiply_api.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_csr_conversions.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_iterator_operations.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_mp_methods.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_test_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_dist_util.mod dbcsr_dist_operations.mod dbcsr_block_access.mod dbcsr_work_operations.mod dbcsr_ptr_util.mod dbcsr_blas_operations.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_block_operations.mod dbcsr_iterator_operations.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_test_methods.F dbcsr_test_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_test_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_test_methods.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_multiply_api.mod' due to: dbcsr_multiply_api.o +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_test_methods.mod' due to: dbcsr_test_methods.o +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tests.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_tests.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_io.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_dist_util.mod dbcsr_multiply_api.mod dbcsr_dist_operations.mod dbcsr_work_operations.mod dbcsr_test_methods.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_transformations.mod dbcsr_machine.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_operations.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_tests.F dbcsr_tests.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tests.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tests.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_csr_conversions.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_block_access.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_transformations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_iterator_operations.mod dbcsr_operations.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F dbcsr_csr_conversions.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_csr_conversions.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_csr_conversions.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F:862:49: @@ -1738,32 +1783,22 @@ 863 | csr_mat%dbcsr_mapping%dbcsr_col_blk_size = dbcsr_col_block_sizes(dbcsr_mat_nosym) | 1 Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_test_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_block_access.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_mpiwrap.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_iterator_operations.mod dbcsr_data_methods.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_blas_operations.mod dbcsr_ptr_util.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_test_methods.F dbcsr_test_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_test_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_test_methods.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_test_methods.mod' due to: dbcsr_test_methods.o -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_multiply_api.mod' due to: dbcsr_multiply_api.o -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tests.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_tests.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_work_operations.mod dbcsr_test_methods.mod dbcsr_base_hooks.mod dbcsr_multiply_api.mod dbcsr_dist_util.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_io.mod dbcsr_kinds.mod dbcsr_mp_methods.mod dbcsr_machine.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_tests.F dbcsr_tests.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tests.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tests.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_global.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_util.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_index_operations.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F dbcsr_tas_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_util.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_util.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_global.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_toollib.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F dbcsr_tas_global.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_global.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_global.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_global.mod' due to: dbcsr_tas_global.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_global.mod' due to: dbcsr_tas_global.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_toollib.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_tas_global.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_tas_global.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_types.F dbcsr_tas_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_types.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_types.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_types.mod' due to: dbcsr_tas_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_tas_global.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_types.mod' due to: dbcsr_tas_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_tas_global.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_util.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_index_operations.mod dbcsr_kinds.mod dbcsr_mp_methods.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F dbcsr_tas_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_util.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_util.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_util.mod' due to: dbcsr_tas_util.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_index_operations.mod dbcsr_kinds.mod dbcsr_mp_methods.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_util.mod' due to: dbcsr_tas_util.o true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_split.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_tas_util.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_split.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_tas_util.mod dbcsr_toollib.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F dbcsr_tas_split.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_split.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_split.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F:531:44: @@ -1778,50 +1813,24 @@ | ^ Warning: 'pcoord_group[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F:496:94: Warning: 'pcoord_group[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_split.mod' due to: dbcsr_tas_split.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_tas_util.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_allocate_wrap.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_base_hooks.mod dbcsr_kinds.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F dbcsr_allocate_wrap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_allocate_wrap.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_allocate_wrap.mod' due to: dbcsr_allocate_wrap.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_base_hooks.mod dbcsr_kinds.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_index.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_kinds.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F dbcsr_tensor_index.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_index.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_index.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_index.mod' due to: dbcsr_tensor_index.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_split.mod' due to: dbcsr_tas_split.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_tas_util.mod dbcsr_toollib.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_base_hooks.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_array_list_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F dbcsr_array_list_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_array_list_methods.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_array_list_methods.mod' due to: dbcsr_array_list_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_base.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_types.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_data_methods_low.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_operations.mod dbcsr_tas_global.mod dbcsr_iterator_operations.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_tas_util.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_base.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_tas_util.mod dbcsr_block_access.mod dbcsr_work_operations.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_data_methods_low.mod dbcsr_methods.mod dbcsr_iterator_operations.mod dbcsr_operations.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_base.F dbcsr_tas_base.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_base.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_base.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_base.mod' due to: dbcsr_tas_base.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_types.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_data_methods_low.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_operations.mod dbcsr_tas_global.mod dbcsr_iterator_operations.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_kinds.mod dbcsr_tas_util.mod -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tests.mod' due to: dbcsr_tests.o -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_csr_conversions.mod' due to: dbcsr_csr_conversions.o -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_lib.mod' due to: dbcsr_lib.o -true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_api.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_operations.mod dbcsr_config.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_io.mod dbcsr_mp_methods.mod dbcsr_string_utilities.mod dbcsr_methods.mod dbcsr_tests.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_csr_conversions.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_lib.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_test_methods.mod dbcsr_multiply_api.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F dbcsr_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_api.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_api.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_api.mod' due to: dbcsr_api.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_operations.mod dbcsr_config.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_io.mod dbcsr_mp_methods.mod dbcsr_string_utilities.mod dbcsr_methods.mod dbcsr_tests.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_csr_conversions.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_lib.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_test_methods.mod dbcsr_multiply_api.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_base.mod' due to: dbcsr_tas_base.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_tas_util.mod dbcsr_block_access.mod dbcsr_work_operations.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_data_methods_low.mod dbcsr_methods.mod dbcsr_iterator_operations.mod dbcsr_operations.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_reshape_ops.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_dist_operations.mod dbcsr_operations.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_data_methods_low.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_tas_base.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_tas_util.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_reshape_ops.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_block_access.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_data_methods_low.mod dbcsr_operations.mod dbcsr_tas_base.mod dbcsr_tas_util.mod dbcsr_dist_operations.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_methods.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F dbcsr_tas_reshape_ops.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_reshape_ops.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_reshape_ops.mod' due to: dbcsr_tas_reshape_ops.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_dist_operations.mod dbcsr_operations.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_block_access.mod dbcsr_mpiwrap.mod dbcsr_data_methods_low.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_tas_base.mod dbcsr_iterator_operations.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_tas_util.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_reshape_ops.mod' due to: dbcsr_tas_reshape_ops.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_block_access.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_data_methods_low.mod dbcsr_operations.mod dbcsr_tas_base.mod dbcsr_tas_util.mod dbcsr_dist_operations.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_methods.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_io.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_tas_base.mod dbcsr_dist_methods.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_io.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod dbcsr_tas_base.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_dist_methods.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_io.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_io.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_io.mod' due to: dbcsr_tas_io.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_tas_base.mod dbcsr_dist_methods.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_io.mod' due to: dbcsr_tas_io.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod dbcsr_tas_base.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_dist_methods.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_mm.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_tas_reshape_ops.mod dbcsr_config.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_tas_io.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_multiply_api.mod dbcsr_tas_util.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_mm.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_tas_reshape_ops.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_transformations.mod dbcsr_operations.mod dbcsr_multiply_api.mod dbcsr_tas_base.mod dbcsr_config.mod dbcsr_tas_util.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_methods.mod dbcsr_tas_io.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F dbcsr_tas_mm.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_mm.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_mm.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F:1457:128: @@ -1851,34 +1860,63 @@ 482 | DEALLOCATE (matrix_b_rep) | ^ Warning: 'matrix_b_rep' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_mm.mod' due to: dbcsr_tas_mm.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_tas_reshape_ops.mod dbcsr_config.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_tas_io.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_multiply_api.mod dbcsr_tas_util.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_mm.mod' due to: dbcsr_tas_mm.o +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_test.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_tas_split.mod dbcsr_tas_global.mod dbcsr_transformations.mod dbcsr_operations.mod dbcsr_multiply_api.mod dbcsr_tas_base.mod dbcsr_tas_util.mod dbcsr_tas_mm.mod dbcsr_dist_util.mod dbcsr_work_operations.mod dbcsr_blas_operations.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_methods.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_test.F dbcsr_tas_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_test.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_test.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_allocate_wrap.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F dbcsr_allocate_wrap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_allocate_wrap.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_allocate_wrap.mod' due to: dbcsr_allocate_wrap.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_index.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_allocate_wrap.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F dbcsr_tensor_index.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_index.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_index.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_index.mod' due to: dbcsr_tensor_index.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_allocate_wrap.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_csr_conversions.mod' due to: dbcsr_csr_conversions.o +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_lib.mod' due to: dbcsr_lib.o +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tests.mod' due to: dbcsr_tests.o +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_api.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_string_utilities.mod dbcsr_mp_methods.mod dbcsr_block_access.mod dbcsr_test_methods.mod dbcsr_transformations.mod dbcsr_operations.mod dbcsr_csr_conversions.mod dbcsr_io.mod dbcsr_multiply_api.mod dbcsr_config.mod dbcsr_lib.mod dbcsr_tests.mod dbcsr_dist_util.mod dbcsr_dist_operations.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_methods.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F dbcsr_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_api.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_api.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_api.mod' due to: dbcsr_api.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp dbcsr_types.mod dbcsr_array_types.mod dbcsr_mpiwrap.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_string_utilities.mod dbcsr_mp_methods.mod dbcsr_block_access.mod dbcsr_test_methods.mod dbcsr_transformations.mod dbcsr_operations.mod dbcsr_csr_conversions.mod dbcsr_io.mod dbcsr_multiply_api.mod dbcsr_config.mod dbcsr_lib.mod dbcsr_tests.mod dbcsr_dist_util.mod dbcsr_dist_operations.mod dbcsr_work_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_methods.mod +true +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_array_list_methods.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_index.mod dbcsr_allocate_wrap.mod dbcsr_base_hooks.mod +python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F dbcsr_array_list_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_array_list_methods.F90 +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_array_list_methods.mod' due to: dbcsr_array_list_methods.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_index.mod dbcsr_allocate_wrap.mod dbcsr_base_hooks.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_operations.mod dbcsr_array_list_methods.mod dbcsr_tas_base.mod dbcsr_tas_global.mod dbcsr_allocate_wrap.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_index.mod dbcsr_tas_mm.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_types.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_tas_mm.mod dbcsr_tas_split.mod dbcsr_tas_base.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_tensor_index.mod dbcsr_api.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod dbcsr_operations.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F dbcsr_tensor_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_types.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_types.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_types.mod' due to: dbcsr_tensor_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_operations.mod dbcsr_array_list_methods.mod dbcsr_tas_base.mod dbcsr_tas_global.mod dbcsr_allocate_wrap.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_index.mod dbcsr_tas_mm.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_types.mod' due to: dbcsr_tensor_types.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_tas_mm.mod dbcsr_tas_split.mod dbcsr_tas_base.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_tensor_index.mod dbcsr_api.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod dbcsr_operations.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_block.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_tas_types.mod dbcsr_dist_operations.mod dbcsr_base_hooks.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod dbcsr_tas_base.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_index.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_block.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_tas_types.mod dbcsr_toollib.mod dbcsr_array_list_methods.mod dbcsr_dist_operations.mod dbcsr_tas_base.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_tensor_index.mod dbcsr_api.mod dbcsr_allocate_wrap.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F dbcsr_tensor_block.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_block.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_block.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_block.mod' due to: dbcsr_tensor_block.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_tas_types.mod dbcsr_dist_operations.mod dbcsr_base_hooks.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod dbcsr_tas_base.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_index.mod dbcsr_toollib.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_block.mod' due to: dbcsr_tensor_block.o true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_io.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_tas_io.mod dbcsr_tensor_block.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_io.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_tas_io.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F dbcsr_tensor_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_io.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_io.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_reshape.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_tas_base.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_block.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_reshape.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_mpiwrap.mod dbcsr_tas_base.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_api.mod dbcsr_allocate_wrap.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F dbcsr_tensor_reshape.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_reshape.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_reshape.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_reshape.mod' due to: dbcsr_tensor_reshape.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_tas_base.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_block.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_reshape.mod' due to: dbcsr_tensor_reshape.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_mpiwrap.mod dbcsr_tas_base.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_api.mod dbcsr_allocate_wrap.mod true /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_io.mod' due to: dbcsr_tensor_io.o true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_split.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_tensor_index.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_split.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_tensor_index.mod dbcsr_api.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F dbcsr_tensor_split.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_split.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_split.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_split.mod' due to: dbcsr_tensor_split.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_tensor_index.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_split.mod' due to: dbcsr_tensor_split.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_tensor_index.mod dbcsr_api.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_data_types.mod dbcsr_tensor_types.mod dbcsr_tas_types.mod dbcsr_dist_operations.mod dbcsr_api.mod dbcsr_tas_mm.mod dbcsr_array_list_methods.mod dbcsr_tensor_reshape.mod dbcsr_tensor_io.mod dbcsr_tensor_index.mod dbcsr_toollib.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_tensor_split.mod dbcsr_allocate_wrap.mod dbcsr_tensor_block.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_tensor_types.mod dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_tensor_reshape.mod dbcsr_tensor_block.mod dbcsr_tas_split.mod dbcsr_api.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod dbcsr_tensor_io.mod dbcsr_tas_base.mod dbcsr_tensor_index.mod dbcsr_tensor_split.mod dbcsr_tas_mm.mod dbcsr_dist_operations.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F dbcsr_tensor.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F:1041:24: @@ -1891,14 +1929,11 @@ 981 | CALL mp_environ(tensor_large%pgrid%mp_comm_2d, 2, pdims_2d, pcoord_2d, periods_2d) | ^ Warning: 'tensor_large' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor.mod' due to: dbcsr_tensor.o +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_test.mod' due to: dbcsr_tas_test.o true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_test.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_tas_types.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_blas_operations.mod dbcsr_tas_mm.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_dist_util.mod dbcsr_tas_global.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_multiply_api.mod dbcsr_tas_util.mod -python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_test.F dbcsr_tas_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_test.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_test.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_test.mod' due to: dbcsr_tas_test.o /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_tas_types.mod dbcsr_operations.mod dbcsr_transformations.mod dbcsr_blas_operations.mod dbcsr_tas_mm.mod dbcsr_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tas_split.mod dbcsr_dist_util.mod dbcsr_tas_global.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_work_operations.mod dbcsr_multiply_api.mod dbcsr_tas_util.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor.mod' due to: dbcsr_tensor.o true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_test.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_allocate_wrap.mod dbcsr_tensor.mod dbcsr_api.mod dbcsr_tensor_io.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_tensor_index.mod dbcsr_blas_operations.mod dbcsr_tas_test.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_test.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_data_types.mod dbcsr_mpiwrap.mod dbcsr_tensor_io.mod dbcsr_tas_base.mod dbcsr_blas_operations.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_tensor_block.mod dbcsr_tensor_index.mod dbcsr_tas_test.mod dbcsr_api.mod dbcsr_tensor.mod dbcsr_allocate_wrap.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F dbcsr_tensor_test.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_test.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_test.F90 /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F:103:18: @@ -1913,24 +1948,24 @@ note: '__result_blocks_equal' was declared here /build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_test.mod' due to: dbcsr_tensor_test.o true -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_api.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F dbcsr_tensor_types.mod dbcsr_tensor_split.mod dbcsr_tensor.mod dbcsr_tensor_io.mod dbcsr_tensor_test.mod dbcsr_tensor_block.mod dbcsr_tensor_index.mod +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_api.o' due to: /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F dbcsr_tensor_types.mod dbcsr_tensor_io.mod dbcsr_tensor_split.mod dbcsr_tensor_block.mod dbcsr_tensor_index.mod dbcsr_tensor_test.mod dbcsr_tensor.mod python3 /build/reproducible-path/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F dbcsr_tensor_api.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_api.F\"" -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_api.F90 -/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:329: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a' due to: dbcsr_mp_operations.o dbcsr_mpiwrap.o dbcsr_mp_methods.o dbcsr_machine_internal.o dbcsr_kinds.o dbcsr_base_hooks.o dbcsr_machine.o dbcsr_ptr_util.o dbcsr_data_methods_low.o dbcsr_data_methods.o dbcsr_data_types.o dbcsr_mem_methods.o dbcsr_data_operations.o dbcsr_acc_devmem.o dbcsr_acc_stream.o dbcsr_acc_timings.o dbcsr_acc_init.o dbcsr_acc_device.o dbcsr_acc_hostmem.o dbcsr_acc_event.o dbcsr_cuda_profiling.o dbcsr_hipblas.o dbcsr_list_routinereport.o dbcsr_list.o dbcsr_log_handling.o dbcsr_list_callstackentry.o dbcsr_timings_base_type.o dbcsr_error_handling.o dbcsr_dict.o dbcsr_timings_types.o dbcsr_config.o dbcsr_timings.o dbcsr_list_routinestat.o dbcsr_timings_report.o dbcsr_iter_types.o dbcsr_list_timerenv.o dbcsr_array_types.o dbcsr_print_messages.o dbcsr_types.o dbcsr_methods.o dbcsr_lib.o dbcsr_mm_cannon.o dbcsr_mm_types.o dbcsr_mm_csr.o dbcsr_mm_3d.o dbcsr_multiply_api.o dbcsr_mm_common.o dbcsr_mm.o dbcsr_mm_accdrv.o dbcsr_mm_hostdrv.o dbcsr_mm_dist_operations.o dbcsr_acc_operations.o dbcsr_mm_multrec.o dbcsr_mm_sched.o dbcsr_dist_methods.o dbcsr_dist_util.o dbcsr_dist_operations.o dbcsr_files.o dbcsr_toollib.o dbcsr_blas_operations.o dbcsr_min_heap.o dbcsr_array_sort.o dbcsr_btree.o dbcsr_string_utilities.o dbcsr_block_access.o dbcsr_block_operations.o dbcsr_index_operations.o dbcsr_iterator_operations.o dbcsr_work_operations.o dbcsr_csr_conversions.o dbcsr_test_methods.o dbcsr_operations.o dbcsr_transformations.o dbcsr_tests.o dbcsr_io.o dbcsr_tensor_io.o dbcsr_tensor.o dbcsr_tensor_types.o dbcsr_tensor_test.o dbcsr_tensor_block.o dbcsr_tensor_index.o dbcsr_allocate_wrap.o dbcsr_tensor_api.o dbcsr_array_list_methods.o dbcsr_tensor_reshape.o dbcsr_tensor_split.o dbcsr_api.o dbcsr_tas_util.o dbcsr_tas_base.o dbcsr_tas_mm.o dbcsr_tas_test.o dbcsr_tas_types.o dbcsr_tas_split.o dbcsr_tas_global.o dbcsr_tas_io.o dbcsr_tas_reshape_ops.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a dbcsr_mp_operations.o dbcsr_mpiwrap.o dbcsr_mp_methods.o dbcsr_machine_internal.o dbcsr_kinds.o dbcsr_base_hooks.o dbcsr_machine.o dbcsr_ptr_util.o dbcsr_data_methods_low.o dbcsr_data_methods.o dbcsr_data_types.o dbcsr_mem_methods.o dbcsr_data_operations.o dbcsr_acc_devmem.o dbcsr_acc_stream.o dbcsr_acc_timings.o dbcsr_acc_init.o dbcsr_acc_device.o dbcsr_acc_hostmem.o dbcsr_acc_event.o dbcsr_cuda_profiling.o dbcsr_hipblas.o dbcsr_list_routinereport.o dbcsr_list.o dbcsr_log_handling.o dbcsr_list_callstackentry.o dbcsr_timings_base_type.o dbcsr_error_handling.o dbcsr_dict.o dbcsr_timings_types.o dbcsr_config.o dbcsr_timings.o dbcsr_list_routinestat.o dbcsr_timings_report.o dbcsr_iter_types.o dbcsr_list_timerenv.o dbcsr_array_types.o dbcsr_print_messages.o dbcsr_types.o dbcsr_methods.o dbcsr_lib.o dbcsr_mm_cannon.o dbcsr_mm_types.o dbcsr_mm_csr.o dbcsr_mm_3d.o dbcsr_multiply_api.o dbcsr_mm_common.o dbcsr_mm.o dbcsr_mm_accdrv.o dbcsr_mm_hostdrv.o dbcsr_mm_dist_operations.o dbcsr_acc_operations.o dbcsr_mm_multrec.o dbcsr_mm_sched.o dbcsr_dist_methods.o dbcsr_dist_util.o dbcsr_dist_operations.o dbcsr_files.o dbcsr_toollib.o dbcsr_blas_operations.o dbcsr_min_heap.o dbcsr_array_sort.o dbcsr_btree.o dbcsr_string_utilities.o dbcsr_block_access.o dbcsr_block_operations.o dbcsr_index_operations.o dbcsr_iterator_operations.o dbcsr_work_operations.o dbcsr_csr_conversions.o dbcsr_test_methods.o dbcsr_operations.o dbcsr_transformations.o dbcsr_tests.o dbcsr_io.o dbcsr_tensor_io.o dbcsr_tensor.o dbcsr_tensor_types.o dbcsr_tensor_test.o dbcsr_tensor_block.o dbcsr_tensor_index.o dbcsr_allocate_wrap.o dbcsr_tensor_api.o dbcsr_array_list_methods.o dbcsr_tensor_reshape.o dbcsr_tensor_split.o dbcsr_api.o dbcsr_tas_util.o dbcsr_tas_base.o dbcsr_tas_mm.o dbcsr_tas_test.o dbcsr_tas_types.o dbcsr_tas_split.o dbcsr_tas_global.o dbcsr_tas_io.o dbcsr_tas_reshape_ops.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a +/build/reproducible-path/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:329: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a' due to: dbcsr_index_operations.o dbcsr_block_access.o dbcsr_block_operations.o dbcsr_iterator_operations.o dbcsr_acc_timings.o dbcsr_acc_event.o dbcsr_acc_devmem.o dbcsr_acc_stream.o dbcsr_acc_hostmem.o dbcsr_acc_init.o dbcsr_acc_device.o dbcsr_base_hooks.o dbcsr_machine.o dbcsr_kinds.o dbcsr_machine_internal.o dbcsr_cuda_profiling.o dbcsr_hipblas.o dbcsr_list_callstackentry.o dbcsr_timings_report.o dbcsr_log_handling.o dbcsr_config.o dbcsr_methods.o dbcsr_timings_types.o dbcsr_lib.o dbcsr_timings.o dbcsr_iter_types.o dbcsr_list_routinestat.o dbcsr_list_timerenv.o dbcsr_list_routinereport.o dbcsr_print_messages.o dbcsr_timings_base_type.o dbcsr_error_handling.o dbcsr_list.o dbcsr_array_types.o dbcsr_dict.o dbcsr_types.o dbcsr_mp_methods.o dbcsr_mpiwrap.o dbcsr_mp_operations.o dbcsr_data_types.o dbcsr_data_methods.o dbcsr_data_operations.o dbcsr_mem_methods.o dbcsr_ptr_util.o dbcsr_data_methods_low.o dbcsr_dist_methods.o dbcsr_dist_operations.o dbcsr_dist_util.o dbcsr_array_sort.o dbcsr_toollib.o dbcsr_string_utilities.o dbcsr_min_heap.o dbcsr_btree.o dbcsr_blas_operations.o dbcsr_files.o dbcsr_mm_multrec.o dbcsr_mm.o dbcsr_mm_cannon.o dbcsr_mm_csr.o dbcsr_mm_hostdrv.o dbcsr_mm_dist_operations.o dbcsr_mm_3d.o dbcsr_mm_common.o dbcsr_multiply_api.o dbcsr_mm_types.o dbcsr_acc_operations.o dbcsr_mm_accdrv.o dbcsr_mm_sched.o dbcsr_test_methods.o dbcsr_operations.o dbcsr_transformations.o dbcsr_io.o dbcsr_tests.o dbcsr_csr_conversions.o dbcsr_work_operations.o dbcsr_tas_util.o dbcsr_tas_mm.o dbcsr_tas_split.o dbcsr_tas_global.o dbcsr_tas_test.o dbcsr_tas_io.o dbcsr_tas_types.o dbcsr_tas_base.o dbcsr_tas_reshape_ops.o dbcsr_tensor_block.o dbcsr_tensor_io.o dbcsr_tensor.o dbcsr_tensor_reshape.o dbcsr_tensor_test.o dbcsr_tensor_api.o dbcsr_tensor_types.o dbcsr_tensor_split.o dbcsr_tensor_index.o dbcsr_allocate_wrap.o dbcsr_array_list_methods.o dbcsr_api.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a dbcsr_index_operations.o dbcsr_block_access.o dbcsr_block_operations.o dbcsr_iterator_operations.o dbcsr_acc_timings.o dbcsr_acc_event.o dbcsr_acc_devmem.o dbcsr_acc_stream.o dbcsr_acc_hostmem.o dbcsr_acc_init.o dbcsr_acc_device.o dbcsr_base_hooks.o dbcsr_machine.o dbcsr_kinds.o dbcsr_machine_internal.o dbcsr_cuda_profiling.o dbcsr_hipblas.o dbcsr_list_callstackentry.o dbcsr_timings_report.o dbcsr_log_handling.o dbcsr_config.o dbcsr_methods.o dbcsr_timings_types.o dbcsr_lib.o dbcsr_timings.o dbcsr_iter_types.o dbcsr_list_routinestat.o dbcsr_list_timerenv.o dbcsr_list_routinereport.o dbcsr_print_messages.o dbcsr_timings_base_type.o dbcsr_error_handling.o dbcsr_list.o dbcsr_array_types.o dbcsr_dict.o dbcsr_types.o dbcsr_mp_methods.o dbcsr_mpiwrap.o dbcsr_mp_operations.o dbcsr_data_types.o dbcsr_data_methods.o dbcsr_data_operations.o dbcsr_mem_methods.o dbcsr_ptr_util.o dbcsr_data_methods_low.o dbcsr_dist_methods.o dbcsr_dist_operations.o dbcsr_dist_util.o dbcsr_array_sort.o dbcsr_toollib.o dbcsr_string_utilities.o dbcsr_min_heap.o dbcsr_btree.o dbcsr_blas_operations.o dbcsr_files.o dbcsr_mm_multrec.o dbcsr_mm.o dbcsr_mm_cannon.o dbcsr_mm_csr.o dbcsr_mm_hostdrv.o dbcsr_mm_dist_operations.o dbcsr_mm_3d.o dbcsr_mm_common.o dbcsr_multiply_api.o dbcsr_mm_types.o dbcsr_acc_operations.o dbcsr_mm_accdrv.o dbcsr_mm_sched.o dbcsr_test_methods.o dbcsr_operations.o dbcsr_transformations.o dbcsr_io.o dbcsr_tests.o dbcsr_csr_conversions.o dbcsr_work_operations.o dbcsr_tas_util.o dbcsr_tas_mm.o dbcsr_tas_split.o dbcsr_tas_global.o dbcsr_tas_test.o dbcsr_tas_io.o dbcsr_tas_types.o dbcsr_tas_base.o dbcsr_tas_reshape_ops.o dbcsr_tensor_block.o dbcsr_tensor_io.o dbcsr_tensor.o dbcsr_tensor_reshape.o dbcsr_tensor_test.o dbcsr_tensor_api.o dbcsr_tensor_types.o dbcsr_tensor_split.o dbcsr_tensor_index.o dbcsr_allocate_wrap.o dbcsr_array_list_methods.o dbcsr_api.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/Makefile:144: update target 'all' due to: makedep -/usr/bin/make --no-print-directory -C /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp -f /build/reproducible-path/cp2k-8.1/Makefile all INCLUDE_DEPS=true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kinds.o' due to: /build/reproducible-path/cp2k-8.1/src/base/kinds.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod +/usr/bin/make --no-print-directory -C /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp -f /build/reproducible-path/cp2k-8.1/Makefile all INCLUDE_DEPS=true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kinds.o' due to: /build/reproducible-path/cp2k-8.1/src/base/kinds.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/base/kinds.F kinds.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/reproducible-path/cp2k-8.1/src/base/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kinds.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/reproducible-path/cp2k-8.1/src/base/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kinds.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kinds.mod' due to: kinds.o /build/reproducible-path/cp2k-8.1/src/base/kinds.F true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'machine_internal.o' due to: /build/reproducible-path/cp2k-8.1/src/base/machine_internal.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/machine_posix.f90 kinds.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'machine_internal.o' due to: /build/reproducible-path/cp2k-8.1/src/base/machine_internal.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/machine_posix.f90 kinds.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/base/machine_internal.F machine_internal.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine_internal.F\"" -I'/build/reproducible-path/cp2k-8.1/src/base/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' machine_internal.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine_internal.F\"" -I'/build/reproducible-path/cp2k-8.1/src/base/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' machine_internal.F90 /build/reproducible-path/cp2k-8.1/src/base/machine_posix.f90:33:24: 33 | SUBROUTINE abort() BIND(C, name="abort") @@ -1968,150 +2003,88 @@ Warning: 'getpid' declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'machine_internal.mod' due to: machine_internal.o /build/reproducible-path/cp2k-8.1/src/base/machine_internal.F /build/reproducible-path/cp2k-8.1/src/base/machine_posix.f90 kinds.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'machine.o' due to: /build/reproducible-path/cp2k-8.1/src/base/machine.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.h kinds.mod machine_internal.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'machine.o' due to: /build/reproducible-path/cp2k-8.1/src/base/machine.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.h kinds.mod machine_internal.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/base/machine.F machine.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/reproducible-path/cp2k-8.1/src/base/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' machine.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/reproducible-path/cp2k-8.1/src/base/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' machine.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'machine.mod' due to: machine.o /build/reproducible-path/cp2k-8.1/src/base/machine.F /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.h kinds.mod machine_internal.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'base_hooks.o' due to: /build/reproducible-path/cp2k-8.1/src/base/base_hooks.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'base_hooks.o' due to: /build/reproducible-path/cp2k-8.1/src/base/base_hooks.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/base/base_hooks.F base_hooks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/reproducible-path/cp2k-8.1/src/base/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' base_hooks.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/reproducible-path/cp2k-8.1/src/base/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' base_hooks.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'base_hooks.mod' due to: base_hooks.o /build/reproducible-path/cp2k-8.1/src/base/base_hooks.F kinds.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'memory_utilities.o' due to: /build/reproducible-path/cp2k-8.1/src/common/memory_utilities.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'memory_utilities.o' due to: /build/reproducible-path/cp2k-8.1/src/common/memory_utilities.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/memory_utilities.F memory_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' memory_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' memory_utilities.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'memory_utilities.mod' due to: memory_utilities.o /build/reproducible-path/cp2k-8.1/src/common/memory_utilities.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'memory_utilities_unittest.o' due to: /build/reproducible-path/cp2k-8.1/src/common/memory_utilities_unittest.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a kinds.mod memory_utilities.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'memory_utilities_unittest.o' due to: /build/reproducible-path/cp2k-8.1/src/common/memory_utilities_unittest.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a kinds.mod memory_utilities.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/memory_utilities_unittest.F memory_utilities_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' memory_utilities_unittest.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kahan_sum.o' due to: /build/reproducible-path/cp2k-8.1/src/common/kahan_sum.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/kahan_sum.F kahan_sum.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kahan_sum.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_para_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_para_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_para_types.F cp_para_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_para_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_para_types.mod' due to: cp_para_types.o /build/reproducible-path/cp2k-8.1/src/common/cp_para_types.F -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_iter_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_iter_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_iter_types.F cp_iter_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_iter_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_iter_types.mod' due to: cp_iter_types.o /build/reproducible-path/cp2k-8.1/src/common/cp_iter_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'timings_base_type.o' due to: /build/reproducible-path/cp2k-8.1/src/common/timings_base_type.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/timings_base_type.F timings_base_type.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' timings_base_type.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'timings_base_type.mod' due to: timings_base_type.o /build/reproducible-path/cp2k-8.1/src/common/timings_base_type.F kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' memory_utilities_unittest.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mathconstants.o' due to: /build/reproducible-path/cp2k-8.1/src/common/mathconstants.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/mathconstants.F mathconstants.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mathconstants.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mathconstants.mod' due to: mathconstants.o /build/reproducible-path/cp2k-8.1/src/common/mathconstants.F kinds.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'callgraph.o' due to: /build/reproducible-path/cp2k-8.1/src/common/callgraph.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/hash_map.fypp timings_base_type.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/callgraph.F callgraph.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' callgraph.F90 -/build/reproducible-path/cp2k-8.1/src/common/callgraph.F:17:0: - - 17 | #:call hash_map(prefix='callgraph', & - | -Warning: 'callgraph_isready' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/common/callgraph.F:17:24: - - 17 | #:call hash_map(prefix='callgraph', & - | ^ -Warning: 'callgraph_del' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/common/callgraph.F:17:27: - - 17 | #:call hash_map(prefix='callgraph', & - | ^ -Warning: 'callgraph_update' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/common/callgraph.F:17:26: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'whittaker.o' due to: /build/reproducible-path/cp2k-8.1/src/common/whittaker.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/whittaker.F whittaker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' whittaker.F90 +/build/reproducible-path/cp2k-8.1/src/common/whittaker.F:111:26: - 17 | #:call hash_map(prefix='callgraph', & + 111 | SUBROUTINE whittaker_c0(wc, r, expa, erfa, alpha, l, n) | ^ -Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/common/callgraph.F:17:66: - - 17 | #:call hash_map(prefix='callgraph', & - | ^ -note: 'value' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'callgraph.mod' due to: callgraph.o /build/reproducible-path/cp2k-8.1/src/common/callgraph.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/hash_map.fypp timings_base_type.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'list_routinestat.o' due to: /build/reproducible-path/cp2k-8.1/src/common/list_routinestat.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/list.fypp timings_base_type.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/list_routinestat.F list_routinestat.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' list_routinestat.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'list_routinestat.mod' due to: list_routinestat.o /build/reproducible-path/cp2k-8.1/src/common/list_routinestat.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/list.fypp timings_base_type.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'list_callstackentry.o' due to: /build/reproducible-path/cp2k-8.1/src/common/list_callstackentry.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/list.fypp timings_base_type.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/list_callstackentry.F list_callstackentry.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' list_callstackentry.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'list_callstackentry.mod' due to: list_callstackentry.o /build/reproducible-path/cp2k-8.1/src/common/list_callstackentry.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/list.fypp timings_base_type.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'routine_map.o' due to: /build/reproducible-path/cp2k-8.1/src/common/routine_map.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/hash_map.fypp kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/routine_map.F routine_map.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' routine_map.F90 -/build/reproducible-path/cp2k-8.1/src/common/routine_map.F:16:0: - - 16 | #:call hash_map(prefix='routine_map', & - | -Warning: 'routine_map_isready' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/common/routine_map.F:16:26: +Warning: 'whittaker_c0' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kahan_sum.o' due to: /build/reproducible-path/cp2k-8.1/src/common/kahan_sum.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/kahan_sum.F kahan_sum.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kahan_sum.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fparser.o' due to: /build/reproducible-path/cp2k-8.1/src/common/fparser.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/fparser.F fparser.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fparser.F90 +/build/reproducible-path/cp2k-8.1/src/common/fparser.F:355:3: - 16 | #:call hash_map(prefix='routine_map', & - | ^ -Warning: 'routine_map_del' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/common/routine_map.F:16:29: + 355 | FUNCTION EvalErrMsg() RESULT(msg) + | ^ +Warning: 'evalerrmsg' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/common/fparser.F:504:36: - 16 | #:call hash_map(prefix='routine_map', & - | ^ -Warning: 'routine_map_update' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/common/routine_map.F:16:28: + 504 | IF (PRESENT(inext)) inext = in + | ^ +Warning: 'in' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/common/fparser.F:503:38: - 16 | #:call hash_map(prefix='routine_map', & - | ^ -Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/common/routine_map.F:16:68: + 503 | IF (PRESENT(ibegin)) ibegin = ib + | ^ +Warning: 'ib' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/common/fparser.F:1027:23: - 16 | #:call hash_map(prefix='routine_map', & - | ^ -note: 'value' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'routine_map.mod' due to: routine_map.o /build/reproducible-path/cp2k-8.1/src/common/routine_map.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/hash_map.fypp kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'timings_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/timings_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod callgraph.mod list_routinestat.mod list_callstackentry.mod routine_map.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/timings_types.F timings_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' timings_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'timings_types.mod' due to: timings_types.o /build/reproducible-path/cp2k-8.1/src/common/timings_types.F callgraph.mod list_routinestat.mod list_callstackentry.mod routine_map.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cuda_profiling.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cuda_profiling.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cuda_profiling.F cuda_profiling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cuda_profiling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cuda_profiling.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cuda_profiling.mod' due to: cuda_profiling.o /build/reproducible-path/cp2k-8.1/src/common/cuda_profiling.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'list_timerenv.o' due to: /build/reproducible-path/cp2k-8.1/src/common/list_timerenv.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/list.fypp timings_types.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/list_timerenv.F list_timerenv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' list_timerenv.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'list_timerenv.mod' due to: list_timerenv.o /build/reproducible-path/cp2k-8.1/src/common/list_timerenv.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/list.fypp timings_types.mod base_hooks.mod + 1027 | vals(ipar) = xval + | ^ +Warning: 'xval' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_para_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_para_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_para_types.F cp_para_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_para_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lapack.o' due to: /build/reproducible-path/cp2k-8.1/src/common/lapack.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/lapack.F lapack.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lapack.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'physcon.o' due to: /build/reproducible-path/cp2k-8.1/src/common/physcon.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/physcon.F physcon.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' physcon.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'timings_base_type.o' due to: /build/reproducible-path/cp2k-8.1/src/common/timings_base_type.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/timings_base_type.F timings_base_type.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' timings_base_type.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'timings_base_type.mod' due to: timings_base_type.o /build/reproducible-path/cp2k-8.1/src/common/timings_base_type.F kinds.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'list_routinereport.o' due to: /build/reproducible-path/cp2k-8.1/src/common/list_routinereport.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/list.fypp timings_base_type.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'list_routinereport.o' due to: /build/reproducible-path/cp2k-8.1/src/common/list_routinereport.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/list_routinereport.F list_routinereport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' list_routinereport.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'list_routinereport.mod' due to: list_routinereport.o /build/reproducible-path/cp2k-8.1/src/common/list_routinereport.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/list.fypp timings_base_type.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'list.o' due to: /build/reproducible-path/cp2k-8.1/src/common/list.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/list.fypp timings_base_type.mod list_timerenv.mod list_callstackentry.mod list_routinereport.mod list_routinestat.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/list.F list.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' list.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'list.mod' due to: list.o /build/reproducible-path/cp2k-8.1/src/common/list.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/list.fypp timings_base_type.mod list_timerenv.mod list_callstackentry.mod list_routinereport.mod list_routinestat.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'timings.o' due to: /build/reproducible-path/cp2k-8.1/src/common/timings.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod timings_types.mod kinds.mod cuda_profiling.mod base_hooks.mod routine_map.mod callgraph.mod machine.mod list.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/timings.F timings.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' timings.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'timings.mod' due to: timings.o /build/reproducible-path/cp2k-8.1/src/common/timings.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod timings_types.mod kinds.mod cuda_profiling.mod base_hooks.mod routine_map.mod callgraph.mod machine.mod list.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_files.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_files.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod machine.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_files.F cp_files.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_files.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_files.mod' due to: cp_files.o /build/reproducible-path/cp2k-8.1/src/common/cp_files.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod machine.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' list_routinereport.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_iter_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_iter_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_iter_types.F cp_iter_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_iter_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_para_types.mod' due to: cp_para_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'message_passing.o' due to: /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.f90 kinds.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'message_passing.o' due to: /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.F message_passing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/reproducible-path/cp2k-8.1/src/mpiwrap/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' message_passing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:58:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/reproducible-path/cp2k-8.1/src/mpiwrap/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' message_passing.F90 /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.F:3358:33: 3358 | SUBROUTINE mp_file_read_at_chv(fh, offset, msg, msglen) @@ -2297,11 +2270,31 @@ 3784 | SUBROUTINE mp_file_read_at_${nametype1}$ (fh, offset, msg) | ^ Warning: 'mp_file_read_at_c' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'message_passing.mod' due to: message_passing.o /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.f90 kinds.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'message_passing.mod' due to: message_passing.o /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.F /build/reproducible-path/cp2k-8.1/src/mpiwrap/message_passing.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod machine.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_array_sort.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_array_sort.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/array_sort.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_array_sort.F cp_array_sort.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_array_sort.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_array_sort.mod' due to: cp_array_sort.o /build/reproducible-path/cp2k-8.1/src/common/cp_array_sort.F /build/reproducible-path/cp2k-8.1/src/common/array_sort.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'util.o' due to: /build/reproducible-path/cp2k-8.1/src/common/util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/sort_m.f90 kinds.mod cp_array_sort.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/util.F util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'util.mod' due to: util.o /build/reproducible-path/cp2k-8.1/src/common/util.F /build/reproducible-path/cp2k-8.1/src/common/sort_m.f90 kinds.mod cp_array_sort.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'reference_manager.o' due to: /build/reproducible-path/cp2k-8.1/src/common/reference_manager.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod base_hooks.mod message_passing.mod util.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/reference_manager.F reference_manager.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' reference_manager.F90 +/build/reproducible-path/cp2k-8.1/src/common/reference_manager.F:721:40: + + 721 | res = thebib(key)%ref%citation_key + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/128) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'reference_manager.mod' due to: reference_manager.o /build/reproducible-path/cp2k-8.1/src/common/reference_manager.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod base_hooks.mod message_passing.mod util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'string_utilities.o' due to: /build/reproducible-path/cp2k-8.1/src/common/string_utilities.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'string_utilities.o' due to: /build/reproducible-path/cp2k-8.1/src/common/string_utilities.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/string_utilities.F string_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' string_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' string_utilities.F90 /build/reproducible-path/cp2k-8.1/src/common/string_utilities.F:24:45: 24 | CHARACTER(LEN=1), PARAMETER :: backslash = '\\' @@ -2314,17 +2307,304 @@ Warning: 's2a_60' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'string_utilities.mod' due to: string_utilities.o /build/reproducible-path/cp2k-8.1/src/common/string_utilities.F kinds.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_log_handling.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_log_handling.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_iter_types.mod kinds.mod timings.mod cp_files.mod message_passing.mod string_utilities.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'bibliography.o' due to: /build/reproducible-path/cp2k-8.1/src/common/bibliography.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 reference_manager.mod base_hooks.mod string_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/bibliography.F bibliography.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' bibliography.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'string_table.o' due to: /build/reproducible-path/cp2k-8.1/src/common/string_table.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/string_table.F string_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' string_table.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'list_routinestat.o' due to: /build/reproducible-path/cp2k-8.1/src/common/list_routinestat.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/list_routinestat.F list_routinestat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' list_routinestat.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'list_callstackentry.o' due to: /build/reproducible-path/cp2k-8.1/src/common/list_callstackentry.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/list_callstackentry.F list_callstackentry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' list_callstackentry.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'list_callstackentry.mod' due to: list_callstackentry.o /build/reproducible-path/cp2k-8.1/src/common/list_callstackentry.F /build/reproducible-path/cp2k-8.1/src/common/list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'routine_map.o' due to: /build/reproducible-path/cp2k-8.1/src/common/routine_map.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/hash_map.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/routine_map.F routine_map.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' routine_map.F90 +/build/reproducible-path/cp2k-8.1/src/common/routine_map.F:16:0: + + 16 | #:call hash_map(prefix='routine_map', & + | +Warning: 'routine_map_isready' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/common/routine_map.F:16:26: + + 16 | #:call hash_map(prefix='routine_map', & + | ^ +Warning: 'routine_map_del' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/common/routine_map.F:16:29: + + 16 | #:call hash_map(prefix='routine_map', & + | ^ +Warning: 'routine_map_update' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/common/routine_map.F:16:28: + + 16 | #:call hash_map(prefix='routine_map', & + | ^ +Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/common/routine_map.F:16:68: + + 16 | #:call hash_map(prefix='routine_map', & + | ^ +note: 'value' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'routine_map.mod' due to: routine_map.o /build/reproducible-path/cp2k-8.1/src/common/routine_map.F /build/reproducible-path/cp2k-8.1/src/common/hash_map.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'list_routinestat.mod' due to: list_routinestat.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'callgraph.o' due to: /build/reproducible-path/cp2k-8.1/src/common/callgraph.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/hash_map.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/callgraph.F callgraph.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' callgraph.F90 +/build/reproducible-path/cp2k-8.1/src/common/callgraph.F:17:0: + + 17 | #:call hash_map(prefix='callgraph', & + | +Warning: 'callgraph_isready' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/common/callgraph.F:17:24: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +Warning: 'callgraph_del' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/common/callgraph.F:17:27: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +Warning: 'callgraph_update' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/common/callgraph.F:17:26: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/common/callgraph.F:17:66: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +note: 'value' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'callgraph.mod' due to: callgraph.o /build/reproducible-path/cp2k-8.1/src/common/callgraph.F /build/reproducible-path/cp2k-8.1/src/common/hash_map.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'timings_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/timings_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod list_callstackentry.mod routine_map.mod list_routinestat.mod callgraph.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/timings_types.F timings_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' timings_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 't_sh_p_s_c.o' due to: /build/reproducible-path/cp2k-8.1/src/common/t_sh_p_s_c.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 message_passing.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/t_sh_p_s_c.F t_sh_p_s_c.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' t_sh_p_s_c.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_result_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_result_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_result_types.F cp_result_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_result_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_min_heap.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_min_heap.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_min_heap.F cp_min_heap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_min_heap.F90 +/build/reproducible-path/cp2k-8.1/src/common/cp_min_heap.F:73:3: + + 73 | ELEMENTAL FUNCTION get_right_child(n) RESULT(child) + | ^ +Warning: 'get_right_child' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/common/cp_min_heap.F:100:3: + + 100 | ELEMENTAL FUNCTION get_value_by_key(heap, key) RESULT(value) + | ^ +Warning: 'get_value_by_key' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lebedev.o' due to: /build/reproducible-path/cp2k-8.1/src/common/lebedev.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/lebedev.F lebedev.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lebedev.F90 +/build/reproducible-path/cp2k-8.1/src/common/lebedev.F:146:42: + + 146 | END FUNCTION get_number_of_lebedev_grid + | ^ +Warning: 'number_of_lebedev_grid' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/common/lebedev.F:113:75: + + 113 | FUNCTION get_number_of_lebedev_grid(l, n) RESULT(number_of_lebedev_grid) + | ^ +note: 'number_of_lebedev_grid' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lapack.mod' due to: lapack.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eigenvalueproblems.o' due to: /build/reproducible-path/cp2k-8.1/src/common/eigenvalueproblems.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 lapack.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/eigenvalueproblems.F eigenvalueproblems.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eigenvalueproblems.F90 +/build/reproducible-path/cp2k-8.1/src/common/eigenvalueproblems.F:146:25: + + 146 | SUBROUTINE cp2k_sgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) + | ^ +Warning: 'cp2k_sgesvd' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/common/eigenvalueproblems.F:180:25: + + 180 | SUBROUTINE cp2k_cgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) + | ^ +Warning: 'cp2k_cgesvd' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gamma.o' due to: /build/reproducible-path/cp2k-8.1/src/common/gamma.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/gamma.F gamma.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gamma.F90 +/build/reproducible-path/cp2k-8.1/src/common/gamma.F:281:22: + + 281 | SUBROUTINE fgamma_1(nmax, t, f) + | ^ +Warning: 'fgamma_1' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_para_env.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_para_env.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_para_env.F cp_para_env.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_env.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_para_env.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'spherical_harmonics.o' due to: /build/reproducible-path/cp2k-8.1/src/common/spherical_harmonics.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/spherical_harmonics.F spherical_harmonics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 20:59:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' spherical_harmonics.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_result_types.mod' due to: cp_result_types.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_result_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_result_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_result_types.mod memory_utilities.mod kinds.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_result_methods.F cp_result_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_result_methods.F90 +/build/reproducible-path/cp2k-8.1/src/common/cp_result_methods.F:271:17: + + 271 | CPASSERT(nrep*size_res == size_values) + | ^ +Warning: 'size_res' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/common/cp_result_methods.F:199:17: + + 199 | CPASSERT(nrep*size_res == size_values) + | ^ +Warning: 'size_res' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'timings_types.mod' due to: timings_types.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_files.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_files.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_files.F cp_files.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_files.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_files.mod' due to: cp_files.o /build/reproducible-path/cp2k-8.1/src/common/cp_files.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod machine.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'list_timerenv.o' due to: /build/reproducible-path/cp2k-8.1/src/common/list_timerenv.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/list_timerenv.F list_timerenv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' list_timerenv.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'list_timerenv.mod' due to: list_timerenv.o /build/reproducible-path/cp2k-8.1/src/common/list_timerenv.F /build/reproducible-path/cp2k-8.1/src/common/list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_types.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'list_routinereport.mod' due to: list_routinereport.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'list.o' due to: /build/reproducible-path/cp2k-8.1/src/common/list.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod list_callstackentry.mod list_timerenv.mod list_routinestat.mod base_hooks.mod list_routinereport.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/list.F list.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' list.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'list.mod' due to: list.o /build/reproducible-path/cp2k-8.1/src/common/list.F /build/reproducible-path/cp2k-8.1/src/common/list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod list_callstackentry.mod list_timerenv.mod list_routinestat.mod base_hooks.mod list_routinereport.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cuda_profiling.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cuda_profiling.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cuda_profiling.F cuda_profiling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cuda_profiling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cuda_profiling.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cuda_profiling.mod' due to: cuda_profiling.o /build/reproducible-path/cp2k-8.1/src/common/cuda_profiling.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'timings.o' due to: /build/reproducible-path/cp2k-8.1/src/common/timings.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_types.mod timings_base_type.mod cuda_profiling.mod kinds.mod routine_map.mod base_hooks.mod list.mod callgraph.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/timings.F timings.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' timings.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'timings.mod' due to: timings.o /build/reproducible-path/cp2k-8.1/src/common/timings.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_types.mod timings_base_type.mod cuda_profiling.mod kinds.mod routine_map.mod base_hooks.mod list.mod callgraph.mod machine.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'timings_report.o' due to: /build/reproducible-path/cp2k-8.1/src/common/timings_report.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod timings_types.mod timings_base_type.mod util.mod cp_files.mod kinds.mod routine_map.mod base_hooks.mod list.mod list_routinereport.mod callgraph.mod message_passing.mod timings.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/timings_report.F timings_report.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' timings_report.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'structure_factor_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/structure_factor_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/structure_factor_types.F structure_factor_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' structure_factor_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'linear_systems.o' due to: /build/reproducible-path/cp2k-8.1/src/common/linear_systems.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 lapack.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/linear_systems.F linear_systems.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' linear_systems.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_iter_types.mod' due to: cp_iter_types.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_log_handling.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_log_handling.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_iter_types.mod cp_files.mod kinds.mod string_utilities.mod base_hooks.mod message_passing.mod timings.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_log_handling.F cp_log_handling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_log_handling.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_log_handling.mod' due to: cp_log_handling.o /build/reproducible-path/cp2k-8.1/src/common/cp_log_handling.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_iter_types.mod kinds.mod timings.mod cp_files.mod message_passing.mod string_utilities.mod base_hooks.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_log_handling.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_log_handling.mod' due to: cp_log_handling.o /build/reproducible-path/cp2k-8.1/src/common/cp_log_handling.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_iter_types.mod cp_files.mod kinds.mod string_utilities.mod base_hooks.mod message_passing.mod timings.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_array_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_array_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/cp_array_utils.fypp kinds.mod machine.mod base_hooks.mod cp_log_handling.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_array_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_array_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/cp_array_utils.fypp kinds.mod cp_log_handling.mod machine.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_array_utils.F cp_array_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_array_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'd3_poly.o' due to: /build/reproducible-path/cp2k-8.1/src/common/d3_poly.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_array_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mathlib.o' due to: /build/reproducible-path/cp2k-8.1/src/common/mathlib.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/mathlib.F mathlib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mathlib.F90 +/build/reproducible-path/cp2k-8.1/src/common/mathlib.F:1484:3: + + 1484 | FUNCTION expint(n, x) + | ^ +Warning: '__result_expint' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/common/mathlib.F:143:23: + + 143 | END FUNCTION pswitch + | ^ +Warning: 'fx' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/common/mathlib.F:100:46: + + 100 | FUNCTION pswitch(x, a, b, order) RESULT(fx) + | ^ +note: 'fx' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'structure_factor_types.mod' due to: structure_factor_types.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'structure_factors.o' due to: /build/reproducible-path/cp2k-8.1/src/common/structure_factors.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 structure_factor_types.mod kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/structure_factors.F structure_factors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' structure_factors.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lebedev.mod' due to: lebedev.o +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'spherical_harmonics.mod' due to: spherical_harmonics.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cg_test.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cg_test.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod lebedev.mod machine.mod spherical_harmonics.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cg_test.F cg_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cg_test.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'bessel_lib.o' due to: /build/reproducible-path/cp2k-8.1/src/common/bessel_lib.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/bessel_lib.F bessel_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' bessel_lib.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'print_messages.o' due to: /build/reproducible-path/cp2k-8.1/src/common/print_messages.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/print_messages.F print_messages.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' print_messages.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'print_messages.mod' due to: print_messages.o /build/reproducible-path/cp2k-8.1/src/common/print_messages.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_error_handling.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_error_handling.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod timings.mod print_messages.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_error_handling.F cp_error_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_error_handling.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'physcon.mod' due to: physcon.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_units.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_units.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_units.F cp_units.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_units.F90 +/build/reproducible-path/cp2k-8.1/src/common/cp_units.F:443:31: + + 443 | desc = cp_unit_desc(unit) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/common/cp_units.F:1336:32: + + 1336 | SUBROUTINE cp_unit_set_retain(unit_set) + | ^ +Warning: 'cp_unit_set_retain' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'parallel_rng_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod string_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F parallel_rng_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' parallel_rng_types.F90 +/build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F:845:25: + + 845 | END FUNCTION next_real + | ^ +Warning: 'u' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F:804:47: + + 804 | FUNCTION next_real(self, variance) RESULT(u) + | ^ +note: 'u' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'parallel_rng_types.mod' due to: parallel_rng_types.o /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod string_utilities.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_para_env.mod' due to: cp_para_env.o +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_array_utils.mod' due to: cp_array_utils.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'distribution_1d_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/distribution_1d_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod parallel_rng_types.mod cp_para_env.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/distribution_1d_types.F distribution_1d_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' distribution_1d_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'splines.o' due to: /build/reproducible-path/cp2k-8.1/src/common/splines.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 lapack.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/splines.F splines.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' splines.F90 +/build/reproducible-path/cp2k-8.1/src/common/splines.F:261:27: + + 261 | SUBROUTINE spline3valder(x, xi, c, val, der) + | ^ +Warning: 'spline3valder' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'periodic_table.o' due to: /build/reproducible-path/cp2k-8.1/src/common/periodic_table.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod string_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/periodic_table.F periodic_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' periodic_table.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 't_c_g0.o' due to: /build/reproducible-path/cp2k-8.1/src/common/t_c_g0.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 message_passing.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/t_c_g0.F t_c_g0.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' t_c_g0.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'd3_poly.o' due to: /build/reproducible-path/cp2k-8.1/src/common/d3_poly.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/d3_poly.F d3_poly.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' d3_poly.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' d3_poly.F90 /build/reproducible-path/cp2k-8.1/src/common/d3_poly.F:235:3: 235 | PURE FUNCTION mono_index1(i) RESULT(res) @@ -2425,78 +2705,9 @@ 1751 | SUBROUTINE poly_derive3(p, pRes, npoly, sumUp) | ^ Warning: 'poly_derive3' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'structure_factor_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/structure_factor_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/structure_factor_types.F structure_factor_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' structure_factor_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_result_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_result_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_result_types.F cp_result_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:50:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_result_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mathconstants.o' due to: /build/reproducible-path/cp2k-8.1/src/common/mathconstants.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/mathconstants.F mathconstants.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mathconstants.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mathconstants.mod' due to: mathconstants.o /build/reproducible-path/cp2k-8.1/src/common/mathconstants.F kinds.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'physcon.o' due to: /build/reproducible-path/cp2k-8.1/src/common/physcon.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/physcon.F physcon.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' physcon.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'physcon.mod' due to: physcon.o /build/reproducible-path/cp2k-8.1/src/common/physcon.F kinds.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_units.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_units.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod mathconstants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_units.F cp_units.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_units.F90 -/build/reproducible-path/cp2k-8.1/src/common/cp_units.F:443:31: - - 443 | desc = cp_unit_desc(unit) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/common/cp_units.F:1336:32: - - 1336 | SUBROUTINE cp_unit_set_retain(unit_set) - | ^ -Warning: 'cp_unit_set_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'spherical_harmonics.o' due to: /build/reproducible-path/cp2k-8.1/src/common/spherical_harmonics.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/spherical_harmonics.F spherical_harmonics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' spherical_harmonics.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lapack.o' due to: /build/reproducible-path/cp2k-8.1/src/common/lapack.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/lapack.F lapack.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lapack.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'whittaker.o' due to: /build/reproducible-path/cp2k-8.1/src/common/whittaker.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/whittaker.F whittaker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' whittaker.F90 -/build/reproducible-path/cp2k-8.1/src/common/whittaker.F:111:26: - - 111 | SUBROUTINE whittaker_c0(wc, r, expa, erfa, alpha, l, n) - | ^ -Warning: 'whittaker_c0' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'parallel_rng_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 string_utilities.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F parallel_rng_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' parallel_rng_types.F90 -/build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F:845:25: - - 845 | END FUNCTION next_real - | ^ -Warning: 'u' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types.F:804:47: - - 804 | FUNCTION next_real(self, variance) RESULT(u) - | ^ -note: 'u' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_array_sort.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_array_sort.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/array_sort.fypp kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_array_sort.F cp_array_sort.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_array_sort.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_array_sort.mod' due to: cp_array_sort.o /build/reproducible-path/cp2k-8.1/src/common/cp_array_sort.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/array_sort.fypp kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'util.o' due to: /build/reproducible-path/cp2k-8.1/src/common/util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/sort_m.f90 kinds.mod cp_array_sort.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/util.F util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'util.mod' due to: util.o /build/reproducible-path/cp2k-8.1/src/common/util.F /build/reproducible-path/cp2k-8.1/src/common/sort_m.f90 kinds.mod cp_array_sort.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'timings_report.o' due to: /build/reproducible-path/cp2k-8.1/src/common/timings_report.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod timings_types.mod cp_para_types.mod kinds.mod util.mod timings.mod cp_files.mod message_passing.mod list_routinereport.mod base_hooks.mod routine_map.mod callgraph.mod list.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/timings_report.F timings_report.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' timings_report.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'powell.o' due to: /build/reproducible-path/cp2k-8.1/src/common/powell.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'powell.o' due to: /build/reproducible-path/cp2k-8.1/src/common/powell.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/powell.F powell.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' powell.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' powell.F90 /build/reproducible-path/cp2k-8.1/src/common/powell.F:1608:34: 1608 | tempb = tempb - taumax @@ -2547,226 +2758,60 @@ 1663 | REAL(dp) :: alpha, angle, angtest, bstep, cf, cth, dd, delsq, dg, dhd, & | ^ note: 'bstep' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_result_types.mod' due to: cp_result_types.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_result_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_result_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_result_types.mod kinds.mod message_passing.mod memory_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_result_methods.F cp_result_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_result_methods.F90 -/build/reproducible-path/cp2k-8.1/src/common/cp_result_methods.F:271:17: - - 271 | CPASSERT(nrep*size_res == size_values) - | ^ -Warning: 'size_res' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/common/cp_result_methods.F:199:17: - - 199 | CPASSERT(nrep*size_res == size_values) - | ^ -Warning: 'size_res' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lebedev.o' due to: /build/reproducible-path/cp2k-8.1/src/common/lebedev.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/lebedev.F lebedev.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lebedev.F90 -/build/reproducible-path/cp2k-8.1/src/common/lebedev.F:146:42: - - 146 | END FUNCTION get_number_of_lebedev_grid - | ^ -Warning: 'number_of_lebedev_grid' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/common/lebedev.F:113:75: - - 113 | FUNCTION get_number_of_lebedev_grid(l, n) RESULT(number_of_lebedev_grid) - | ^ -note: 'number_of_lebedev_grid' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lebedev.mod' due to: lebedev.o /build/reproducible-path/cp2k-8.1/src/common/lebedev.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'spherical_harmonics.mod' due to: spherical_harmonics.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cg_test.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cg_test.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod lebedev.mod cp_log_handling.mod base_hooks.mod mathconstants.mod spherical_harmonics.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cg_test.F cg_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cg_test.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 't_c_g0.o' due to: /build/reproducible-path/cp2k-8.1/src/common/t_c_g0.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod message_passing.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/t_c_g0.F t_c_g0.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' t_c_g0.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'print_messages.o' due to: /build/reproducible-path/cp2k-8.1/src/common/print_messages.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/print_messages.F print_messages.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' print_messages.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'print_messages.mod' due to: print_messages.o /build/reproducible-path/cp2k-8.1/src/common/print_messages.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_error_handling.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_error_handling.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod timings.mod message_passing.mod print_messages.mod cp_log_handling.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_error_handling.F cp_error_handling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_error_handling.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 't_sh_p_s_c.o' due to: /build/reproducible-path/cp2k-8.1/src/common/t_sh_p_s_c.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod message_passing.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/t_sh_p_s_c.F t_sh_p_s_c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' t_sh_p_s_c.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mathlib.o' due to: /build/reproducible-path/cp2k-8.1/src/common/mathlib.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/mathlib.F mathlib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mathlib.F90 -/build/reproducible-path/cp2k-8.1/src/common/mathlib.F:1484:3: - - 1484 | FUNCTION expint(n, x) - | ^ -Warning: '__result_expint' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/common/mathlib.F:143:23: - - 143 | END FUNCTION pswitch - | ^ -Warning: 'fx' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/common/mathlib.F:100:46: - - 100 | FUNCTION pswitch(x, a, b, order) RESULT(fx) - | ^ -note: 'fx' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'reference_manager.o' due to: /build/reproducible-path/cp2k-8.1/src/common/reference_manager.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod util.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/reference_manager.F reference_manager.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' reference_manager.F90 -/build/reproducible-path/cp2k-8.1/src/common/reference_manager.F:721:40: - - 721 | res = thebib(key)%ref%citation_key - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/128) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'reference_manager.mod' due to: reference_manager.o /build/reproducible-path/cp2k-8.1/src/common/reference_manager.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod util.mod message_passing.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'bibliography.o' due to: /build/reproducible-path/cp2k-8.1/src/common/bibliography.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 string_utilities.mod reference_manager.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/bibliography.F bibliography.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' bibliography.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_para_env.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_para_env.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_para_env.F cp_para_env.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_env.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_para_env.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'bessel_lib.o' due to: /build/reproducible-path/cp2k-8.1/src/common/bessel_lib.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/bessel_lib.F bessel_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' bessel_lib.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'periodic_table.o' due to: /build/reproducible-path/cp2k-8.1/src/common/periodic_table.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 string_utilities.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/periodic_table.F periodic_table.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' periodic_table.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lapack.mod' due to: lapack.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'splines.o' due to: /build/reproducible-path/cp2k-8.1/src/common/splines.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod lapack.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/splines.F splines.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' splines.F90 -/build/reproducible-path/cp2k-8.1/src/common/splines.F:261:27: - - 261 | SUBROUTINE spline3valder(x, xi, c, val, der) - | ^ -Warning: 'spline3valder' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'parallel_rng_types.mod' due to: parallel_rng_types.o -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_para_env.mod' due to: cp_para_env.o -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_array_utils.mod' due to: cp_array_utils.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'distribution_1d_types.o' due to: /build/reproducible-path/cp2k-8.1/src/common/distribution_1d_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod parallel_rng_types.mod cp_para_env.mod cp_array_utils.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/distribution_1d_types.F distribution_1d_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' distribution_1d_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eigenvalueproblems.o' due to: /build/reproducible-path/cp2k-8.1/src/common/eigenvalueproblems.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod lapack.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/eigenvalueproblems.F eigenvalueproblems.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eigenvalueproblems.F90 -/build/reproducible-path/cp2k-8.1/src/common/eigenvalueproblems.F:146:25: - - 146 | SUBROUTINE cp2k_sgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) - | ^ -Warning: 'cp2k_sgesvd' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/common/eigenvalueproblems.F:180:25: - - 180 | SUBROUTINE cp2k_cgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) - | ^ -Warning: 'cp2k_cgesvd' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'structure_factor_types.mod' due to: structure_factor_types.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'structure_factors.o' due to: /build/reproducible-path/cp2k-8.1/src/common/structure_factors.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 structure_factor_types.mod kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/structure_factors.F structure_factors.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' structure_factors.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_min_heap.o' due to: /build/reproducible-path/cp2k-8.1/src/common/cp_min_heap.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/cp_min_heap.F cp_min_heap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_min_heap.F90 -/build/reproducible-path/cp2k-8.1/src/common/cp_min_heap.F:73:3: - - 73 | ELEMENTAL FUNCTION get_right_child(n) RESULT(child) - | ^ -Warning: 'get_right_child' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/common/cp_min_heap.F:100:3: - - 100 | ELEMENTAL FUNCTION get_value_by_key(heap, key) RESULT(value) - | ^ -Warning: 'get_value_by_key' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fparser.o' due to: /build/reproducible-path/cp2k-8.1/src/common/fparser.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/fparser.F fparser.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fparser.F90 -/build/reproducible-path/cp2k-8.1/src/common/fparser.F:355:3: - - 355 | FUNCTION EvalErrMsg() RESULT(msg) - | ^ -Warning: 'evalerrmsg' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/common/fparser.F:504:36: - - 504 | IF (PRESENT(inext)) inext = in - | ^ -Warning: 'in' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/common/fparser.F:503:38: - - 503 | IF (PRESENT(ibegin)) ibegin = ib - | ^ -Warning: 'ib' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/common/fparser.F:1027:23: - - 1027 | vals(ipar) = xval - | ^ -Warning: 'xval' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'linear_systems.o' due to: /build/reproducible-path/cp2k-8.1/src/common/linear_systems.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod lapack.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/linear_systems.F linear_systems.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' linear_systems.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gamma.o' due to: /build/reproducible-path/cp2k-8.1/src/common/gamma.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/gamma.F gamma.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' gamma.F90 -/build/reproducible-path/cp2k-8.1/src/common/gamma.F:281:22: - - 281 | SUBROUTINE fgamma_1(nmax, t, f) - | ^ -Warning: 'fgamma_1' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'string_table.o' due to: /build/reproducible-path/cp2k-8.1/src/common/string_table.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/string_table.F string_table.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' string_table.F90 -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a' due to: memory_utilities.o kahan_sum.o cp_array_utils.o d3_poly.o structure_factor_types.o cp_result_types.o cp_units.o mathconstants.o spherical_harmonics.o cp_para_types.o timings_types.o lapack.o whittaker.o parallel_rng_types.o timings_report.o cp_files.o powell.o util.o list_routinereport.o cp_result_methods.o cg_test.o t_c_g0.o cp_iter_types.o cp_error_handling.o t_sh_p_s_c.o mathlib.o timings_base_type.o bibliography.o list_routinestat.o routine_map.o lebedev.o cp_para_env.o cp_log_handling.o bessel_lib.o periodic_table.o list_callstackentry.o splines.o distribution_1d_types.o eigenvalueproblems.o structure_factors.o callgraph.o timings.o cp_min_heap.o fparser.o print_messages.o cuda_profiling.o list_timerenv.o linear_systems.o physcon.o string_utilities.o reference_manager.o cp_array_sort.o list.o gamma.o string_table.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a memory_utilities.o kahan_sum.o cp_array_utils.o d3_poly.o structure_factor_types.o cp_result_types.o cp_units.o mathconstants.o spherical_harmonics.o cp_para_types.o timings_types.o lapack.o whittaker.o parallel_rng_types.o timings_report.o cp_files.o powell.o util.o list_routinereport.o cp_result_methods.o cg_test.o t_c_g0.o cp_iter_types.o cp_error_handling.o t_sh_p_s_c.o mathlib.o timings_base_type.o bibliography.o list_routinestat.o routine_map.o lebedev.o cp_para_env.o cp_log_handling.o bessel_lib.o periodic_table.o list_callstackentry.o splines.o distribution_1d_types.o eigenvalueproblems.o structure_factors.o callgraph.o timings.o cp_min_heap.o fparser.o print_messages.o cuda_profiling.o list_timerenv.o linear_systems.o physcon.o string_utilities.o reference_manager.o cp_array_sort.o list.o gamma.o string_table.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a' due to: message_passing.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a message_passing.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'machine_cpuid.o' due to: /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.h +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a' due to: whittaker.o kahan_sum.o fparser.o cp_para_types.o lapack.o physcon.o list_routinereport.o cp_iter_types.o bibliography.o string_table.o list_routinestat.o timings_types.o t_sh_p_s_c.o cp_result_types.o cp_min_heap.o string_utilities.o lebedev.o eigenvalueproblems.o gamma.o memory_utilities.o cp_para_env.o spherical_harmonics.o reference_manager.o timings_base_type.o cp_result_methods.o timings_report.o structure_factor_types.o linear_systems.o cp_array_utils.o mathlib.o list.o cp_log_handling.o structure_factors.o cp_files.o cg_test.o bessel_lib.o cp_error_handling.o routine_map.o cp_units.o distribution_1d_types.o list_callstackentry.o mathconstants.o timings.o splines.o cp_array_sort.o periodic_table.o t_c_g0.o list_timerenv.o d3_poly.o parallel_rng_types.o powell.o cuda_profiling.o print_messages.o callgraph.o util.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a whittaker.o kahan_sum.o fparser.o cp_para_types.o lapack.o physcon.o list_routinereport.o cp_iter_types.o bibliography.o string_table.o list_routinestat.o timings_types.o t_sh_p_s_c.o cp_result_types.o cp_min_heap.o string_utilities.o lebedev.o eigenvalueproblems.o gamma.o memory_utilities.o cp_para_env.o spherical_harmonics.o reference_manager.o timings_base_type.o cp_result_methods.o timings_report.o structure_factor_types.o linear_systems.o cp_array_utils.o mathlib.o list.o cp_log_handling.o structure_factors.o cp_files.o cg_test.o bessel_lib.o cp_error_handling.o routine_map.o cp_units.o distribution_1d_types.o list_callstackentry.o mathconstants.o timings.o splines.o cp_array_sort.o periodic_table.o t_c_g0.o list_timerenv.o d3_poly.o parallel_rng_types.o powell.o cuda_profiling.o print_messages.o callgraph.o util.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a' due to: message_passing.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a message_passing.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'machine_cpuid.o' due to: /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/base/machine_cpuid.c -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a' due to: base_hooks.o machine.o kinds.o machine_internal.o machine_cpuid.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a base_hooks.o machine.o kinds.o machine_internal.o machine_cpuid.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/all.dep:119: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/memory_utilities_unittest.psmp' due to: memory_utilities_unittest.o /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/memory_utilities_unittest.psmp memory_utilities_unittest.o -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'parallel_rng_types_unittest.o' due to: /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types_unittest.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a parallel_rng_types.mod kinds.mod machine.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a' due to: base_hooks.o machine_internal.o kinds.o machine.o machine_cpuid.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a base_hooks.o machine_internal.o kinds.o machine.o machine_cpuid.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:123: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/memory_utilities_unittest.psmp' due to: memory_utilities_unittest.o /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/memory_utilities_unittest.psmp memory_utilities_unittest.o -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'parallel_rng_types_unittest.o' due to: /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types_unittest.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a parallel_rng_types.mod message_passing.mod kinds.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/common/parallel_rng_types_unittest.F parallel_rng_types_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' parallel_rng_types_unittest.F90 -/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/all.dep:123: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/parallel_rng_types_unittest.psmp' due to: parallel_rng_types_unittest.o /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/parallel_rng_types_unittest.psmp parallel_rng_types_unittest.o -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_miniapp.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/grid_miniapp.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/reproducible-path/cp2k-8.1/src/common/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' parallel_rng_types_unittest.F90 +/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:119: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/parallel_rng_types_unittest.psmp' due to: parallel_rng_types_unittest.o /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/parallel_rng_types_unittest.psmp parallel_rng_types_unittest.o -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_miniapp.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/grid_miniapp.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/grid_miniapp.c -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_grid_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_grid_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_types.F pw_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_grid_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_grid_types.mod' due to: pw_grid_types.o /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fft_kinds.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_kinds.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fft_kinds.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_kinds.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_kinds.F fft_kinds.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fft_kinds.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fft_kinds.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fft_kinds.mod' due to: fft_kinds.o /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_kinds.F true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fft_plan.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_plan.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod fft_kinds.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fft_plan.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_plan.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod fft_kinds.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_plan.F fft_plan.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fft_plan.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fft_plan.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fft_plan.mod' due to: fft_plan.o /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_plan.F fft_kinds.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fftw3_lib.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/fftw3_lib.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_files.mod fft_kinds.mod base_hooks.mod fft_plan.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mltfftsg_tools.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/mltfftsg_tools.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fft_kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mltfftsg_tools.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mltfftsg_tools.mod' due to: mltfftsg_tools.o /build/reproducible-path/cp2k-8.1/src/pw/fft/mltfftsg_tools.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fft_kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fftsg_lib.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/fftsg_lib.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod fft_kinds.mod mltfftsg_tools.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/fft/fftsg_lib.F fftsg_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fftsg_lib.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fftsg_lib.mod' due to: fftsg_lib.o /build/reproducible-path/cp2k-8.1/src/pw/fft/fftsg_lib.F fft_kinds.mod mltfftsg_tools.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fftw3_lib.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/fftw3_lib.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_files.mod fft_kinds.mod base_hooks.mod fft_plan.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/fft/fftw3_lib.F fftw3_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fftw3_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fftw3_lib.F90 /build/reproducible-path/cp2k-8.1/src/pw/fft/fftw3_lib.F:873:32: 873 | CALL XFFTW_EXECUTE_DFT(plan%fftw_plan, zin, xout) @@ -2807,46 +2852,36 @@ Warning: 'fftw_plan_type' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fftw3_lib.mod' due to: fftw3_lib.o /build/reproducible-path/cp2k-8.1/src/pw/fft/fftw3_lib.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_files.mod fft_kinds.mod base_hooks.mod fft_plan.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mltfftsg_tools.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/mltfftsg_tools.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fft_kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mltfftsg_tools.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mltfftsg_tools.mod' due to: mltfftsg_tools.o /build/reproducible-path/cp2k-8.1/src/pw/fft/mltfftsg_tools.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fft_kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fftsg_lib.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/fftsg_lib.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod fft_kinds.mod mltfftsg_tools.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/fft/fftsg_lib.F fftsg_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fftsg_lib.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fftsg_lib.mod' due to: fftsg_lib.o /build/reproducible-path/cp2k-8.1/src/pw/fft/fftsg_lib.F fft_kinds.mod mltfftsg_tools.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fft_lib.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_lib.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fftw3_lib.mod fftsg_lib.mod fft_kinds.mod base_hooks.mod fft_plan.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fft_lib.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_lib.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fft_kinds.mod base_hooks.mod fft_plan.mod fftsg_lib.mod fftw3_lib.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_lib.F fft_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fft_lib.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fft_lib.mod' due to: fft_lib.o /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_lib.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fftw3_lib.mod fftsg_lib.mod fft_kinds.mod base_hooks.mod fft_plan.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fft_lib.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fft_lib.mod' due to: fft_lib.o /build/reproducible-path/cp2k-8.1/src/pw/fft/fft_lib.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fft_kinds.mod base_hooks.mod fft_plan.mod fftsg_lib.mod fftw3_lib.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fast.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fast.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fast.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fast.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod mathconstants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/fast.F fast.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fast.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fast.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fast.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fast.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fast.mod' due to: fast.o /build/reproducible-path/cp2k-8.1/src/pw/fast.F kinds.mod mathconstants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fft_tools.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft_tools.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod message_passing.mod fft_lib.mod fast.mod cp_log_handling.mod base_hooks.mod fft_plan.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fft_tools.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fft_tools.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod cp_log_handling.mod base_hooks.mod fft_plan.mod message_passing.mod fft_lib.mod fast.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/fft_tools.F fft_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:51:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fft_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fft_tools.F90 /build/reproducible-path/cp2k-8.1/src/pw/fft_tools.F:3286:64: 3286 | fft_scratch_last%fft_scratch_next => fft_scratch_new | ^ Warning: 'fft_scratch_last' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fft_tools.mod' due to: fft_tools.o /build/reproducible-path/cp2k-8.1/src/pw/fft_tools.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod message_passing.mod fft_lib.mod fast.mod cp_log_handling.mod base_hooks.mod fft_plan.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fft_tools.mod' due to: fft_tools.o /build/reproducible-path/cp2k-8.1/src/pw/fft_tools.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod cp_log_handling.mod base_hooks.mod fft_plan.mod message_passing.mod fft_lib.mod fast.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_grid_info.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_info.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod kinds.mod fft_tools.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_grid_info.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_info.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod fft_tools.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_info.F pw_grid_info.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_grid_info.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_grid_info.mod' due to: pw_grid_info.o /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_info.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod kinds.mod fft_tools.mod base_hooks.mod mathconstants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_grid_info.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_grid_info.mod' due to: pw_grid_info.o /build/reproducible-path/cp2k-8.1/src/pw/pw_grid_info.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod fft_tools.mod kinds.mod base_hooks.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mathlib.mod' due to: mathlib.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_grids.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_grids.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod kinds.mod util.mod message_passing.mod pw_grid_info.mod base_hooks.mod mathconstants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_grids.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_grids.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod pw_grid_info.mod kinds.mod base_hooks.mod mathlib.mod message_passing.mod util.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_grids.F pw_grids.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_grids.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:00:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_grids.F90 /build/reproducible-path/cp2k-8.1/src/pw/pw_grids.F:1429:29: 1429 | DO n = nlim(1), nlim(2) @@ -2873,23 +2908,21 @@ 1400 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn | ^ note: 'n_upperlimit' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_grids.mod' due to: pw_grids.o /build/reproducible-path/cp2k-8.1/src/pw/pw_grids.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod kinds.mod util.mod message_passing.mod pw_grid_info.mod base_hooks.mod mathconstants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_grids.mod' due to: pw_grids.o /build/reproducible-path/cp2k-8.1/src/pw/pw_grids.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod pw_grid_info.mod kinds.mod base_hooks.mod mathlib.mod message_passing.mod util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod kinds.mod timings.mod pw_grids.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_grids.mod kinds.mod cp_log_handling.mod base_hooks.mod timings.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_types.F pw_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_types.mod' due to: pw_types.o /build/reproducible-path/cp2k-8.1/src/pw/pw_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod kinds.mod timings.mod pw_grids.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kahan_sum.mod' due to: kahan_sum.o +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_types.mod' due to: pw_types.o /build/reproducible-path/cp2k-8.1/src/pw/pw_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_grids.mod kinds.mod cp_log_handling.mod base_hooks.mod timings.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_fpga.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_fpga.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_fpga.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_fpga.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_files.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_fpga.F pw_fpga.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_fpga.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_fpga.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_fpga.mod' due to: pw_fpga.o /build/reproducible-path/cp2k-8.1/src/pw/pw_fpga.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_files.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_cuda.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_cuda.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod message_passing.mod fast.mod fft_tools.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_cuda.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_cuda.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod fft_tools.mod kinds.mod base_hooks.mod message_passing.mod fast.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_cuda.F pw_cuda.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_cuda.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_cuda.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_cuda.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_cuda.F90 /build/reproducible-path/cp2k-8.1/src/pw/pw_cuda.F:770:25: 770 | SUBROUTINE pw_cuda_cff(pw1, pwbuf) @@ -2925,11 +2958,13 @@ 1029 | SUBROUTINE pw_cuda_sf(pw1, pwbuf, scale) | ^ Warning: 'pw_cuda_sf' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_cuda.mod' due to: pw_cuda.o /build/reproducible-path/cp2k-8.1/src/pw/pw_cuda.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod message_passing.mod fast.mod fft_tools.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_cuda.mod' due to: pw_cuda.o /build/reproducible-path/cp2k-8.1/src/pw/pw_cuda.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod fft_tools.mod kinds.mod base_hooks.mod message_passing.mod fast.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod kahan_sum.mod pw_fpga.mod message_passing.mod pw_cuda.mod cp_log_handling.mod fast.mod fft_tools.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kahan_sum.mod' due to: kahan_sum.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_fpga.mod fft_tools.mod kinds.mod cp_log_handling.mod base_hooks.mod pw_cuda.mod kahan_sum.mod message_passing.mod machine.mod fast.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_methods.F pw_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_methods.F90 /build/reproducible-path/cp2k-8.1/src/pw/pw_methods.F:1837:30: 1837 | pw2%in_space = out_space @@ -2945,156 +2980,156 @@ 2051 | integral_value = integral_value*pw1%pw_grid%vol | ^ Warning: 'integral_value' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_methods.mod' due to: pw_methods.o /build/reproducible-path/cp2k-8.1/src/pw/pw_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod kahan_sum.mod pw_fpga.mod message_passing.mod pw_cuda.mod cp_log_handling.mod fast.mod fft_tools.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_methods.mod' due to: pw_methods.o /build/reproducible-path/cp2k-8.1/src/pw/pw_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_fpga.mod fft_tools.mod kinds.mod cp_log_handling.mod base_hooks.mod pw_cuda.mod kahan_sum.mod message_passing.mod machine.mod fast.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'realspace_grid_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod kahan_sum.mod util.mod cp_array_utils.mod message_passing.mod pw_grids.mod pw_methods.mod cp_log_handling.mod fast.mod base_hooks.mod machine.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'realspace_grid_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_grids.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_array_utils.mod pw_methods.mod kahan_sum.mod mathlib.mod message_passing.mod util.mod machine.mod fast.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_types.F realspace_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' realspace_grid_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'realspace_grid_types.mod' due to: realspace_grid_types.o /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod kahan_sum.mod util.mod cp_array_utils.mod message_passing.mod pw_grids.mod pw_methods.mod cp_log_handling.mod fast.mod base_hooks.mod machine.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' realspace_grid_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'realspace_grid_types.mod' due to: realspace_grid_types.o /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_grids.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_array_utils.mod pw_methods.mod kahan_sum.mod mathlib.mod message_passing.mod util.mod machine.mod fast.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_units.mod' due to: cp_units.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cell_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/cell_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_units.mod base_hooks.mod mathconstants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cell_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/cell_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_units.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/cell_types.F cell_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cell_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cell_types.mod' due to: cell_types.o /build/reproducible-path/cp2k-8.1/src/subsys/cell_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_units.mod base_hooks.mod mathconstants.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cell_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cell_types.mod' due to: cell_types.o /build/reproducible-path/cp2k-8.1/src/subsys/cell_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_units.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cube_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/cube_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod kinds.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cube_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/cube_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod kinds.mod base_hooks.mod mathlib.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/cube_utils.F cube_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cube_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cube_utils.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cube_utils.mod' due to: cube_utils.o /build/reproducible-path/cp2k-8.1/src/pw/cube_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod kinds.mod base_hooks.mod mathlib.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'grid_api.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/grid_api.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod cell_types.mod kinds.mod cube_utils.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'grid_api.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/grid_api.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod cell_types.mod cube_utils.mod kinds.mod base_hooks.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/grid/grid_api.F grid_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/reproducible-path/cp2k-8.1/src/grid/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' grid_api.F90 -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_task_list.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_replay.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.h +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/reproducible-path/cp2k-8.1/src/grid/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' grid_api.F90 +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_replay.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.h /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.c -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a' due to: grid_api.o grid_task_list.o grid_replay.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a grid_api.o grid_task_list.o grid_replay.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_integrate_hybrid.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_integrate_hybrid.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_integrate_hybrid.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_collocate_hybrid.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_collocate_hybrid.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_task_list.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/gpu/grid_gpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/grid_task_list.c +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a' due to: grid_api.o grid_replay.o grid_task_list.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a grid_api.o grid_replay.o grid_task_list.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_collocate_hybrid.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_collocate_hybrid.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_collocate_hybrid.c -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a' due to: grid_integrate_hybrid.o grid_collocate_hybrid.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a grid_integrate_hybrid.o grid_collocate_hybrid.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'collocation_integration.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_prepare_pab_dgemm.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'tensor_local.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'utils.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_integrate_hybrid.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_integrate_hybrid.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/hybrid/grid_integrate_hybrid.c +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a' due to: grid_collocate_hybrid.o grid_integrate_hybrid.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a grid_collocate_hybrid.o grid_integrate_hybrid.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_integrate_dgemm.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_integrate_dgemm.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_integrate_dgemm.c +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_collocate_dgemm.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.c +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'utils.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'coefficients.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'tensor_local.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.c +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'collocation_integration.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.c +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'coefficients.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_context_cpu.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_context_cpu.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_context_cpu.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_integrate_dgemm.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_integrate_dgemm.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_integrate_dgemm.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'non_orthorombic_corrections.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'non_orthorombic_corrections.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_collocate_dgemm.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.c -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a' due to: collocation_integration.o grid_prepare_pab_dgemm.o tensor_local.o utils.o coefficients.o grid_context_cpu.o grid_integrate_dgemm.o non_orthorombic_corrections.o grid_collocate_dgemm.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a collocation_integration.o grid_prepare_pab_dgemm.o tensor_local.o utils.o coefficients.o grid_context_cpu.o grid_integrate_dgemm.o non_orthorombic_corrections.o grid_collocate_dgemm.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_ref_integrate.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collint.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.h +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_prepare_pab_dgemm.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.c +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a' due to: grid_integrate_dgemm.o grid_collocate_dgemm.o utils.o tensor_local.o collocation_integration.o coefficients.o grid_context_cpu.o non_orthorombic_corrections.o grid_prepare_pab_dgemm.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a grid_integrate_dgemm.o grid_collocate_dgemm.o utils.o tensor_local.o collocation_integration.o coefficients.o grid_context_cpu.o non_orthorombic_corrections.o grid_prepare_pab_dgemm.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_ref_prepare_pab.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_prepare_pab.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.h +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.c +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_ref_integrate.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collint.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_ref_task_list.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.h +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_ref_task_list.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_task_list.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_ref_prepare_pab.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_prepare_pab.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_ref_collocate.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collint.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.h +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_ref_collocate.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collint.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_integrate.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/ref/grid_ref_collocate.c -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a' due to: grid_ref_integrate.o grid_ref_task_list.o grid_ref_prepare_pab.o grid_ref_collocate.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a grid_ref_integrate.o grid_ref_task_list.o grid_ref_prepare_pab.o grid_ref_collocate.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_sphere_cache.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_basis_set.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_library.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a' due to: grid_ref_prepare_pab.o grid_ref_integrate.o grid_ref_task_list.o grid_ref_collocate.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a grid_ref_prepare_pab.o grid_ref_integrate.o grid_ref_task_list.o grid_ref_collocate.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_library.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_buffer.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_basis_set.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.h +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/common/grid_basis_set.c +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_sphere_cache.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.c +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_buffer.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/common/grid_buffer.c -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a' due to: grid_sphere_cache.o grid_basis_set.o grid_library.o grid_buffer.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a grid_sphere_cache.o grid_basis_set.o grid_library.o grid_buffer.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'virial_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/virial_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/virial_types.F virial_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' virial_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_enumeration_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/input_enumeration_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 string_utilities.mod kinds.mod base_hooks.mod cp_log_handling.mod +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a' due to: grid_library.o grid_basis_set.o grid_sphere_cache.o grid_buffer.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a grid_library.o grid_basis_set.o grid_sphere_cache.o grid_buffer.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_field_kind_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/force_field_kind_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/force_field_kind_types.F force_field_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_field_kind_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_enumeration_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/input_enumeration_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/input_enumeration_types.F input_enumeration_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_enumeration_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_enumeration_types.mod' due to: input_enumeration_types.o /build/reproducible-path/cp2k-8.1/src/input/input_enumeration_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 string_utilities.mod kinds.mod base_hooks.mod cp_log_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_enumeration_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_enumeration_types.mod' due to: input_enumeration_types.o /build/reproducible-path/cp2k-8.1/src/input/input_enumeration_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_inpp_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_types.F cp_parser_inpp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_parser_inpp_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_inpp_types.mod' due to: cp_parser_inpp_types.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_buffer_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_buffer_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_buffer_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_buffer_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_parser_buffer_types.F cp_parser_buffer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_parser_buffer_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_buffer_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_buffer_types.mod' due to: cp_parser_buffer_types.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_buffer_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_status_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_status_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_buffer_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_status_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_status_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_buffer_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_parser_status_types.F cp_parser_status_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_parser_status_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_status_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_status_types.mod' due to: cp_parser_status_types.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_status_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_buffer_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_ilist_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_inpp_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_types.F cp_parser_inpp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_inpp_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_inpp_types.mod' due to: cp_parser_inpp_types.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_ilist_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_types.F cp_parser_ilist_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_parser_ilist_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_ilist_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_ilist_types.mod' due to: cp_parser_ilist_types.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_inpp_types.mod cp_parser_buffer_types.mod cp_para_types.mod cp_parser_status_types.mod cp_parser_ilist_types.mod kinds.mod cp_files.mod cp_para_env.mod message_passing.mod string_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_parser_status_types.mod cp_parser_inpp_types.mod cp_parser_ilist_types.mod cp_parser_buffer_types.mod cp_para_env.mod cp_files.mod kinds.mod message_passing.mod string_utilities.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_parser_types.F cp_parser_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_parser_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_types.F90 /build/reproducible-path/cp2k-8.1/src/input/cp_parser_types.F:110:27: 110 | SUBROUTINE parser_retain(parser) | ^ Warning: 'parser_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_types.mod' due to: cp_parser_types.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_inpp_types.mod cp_parser_buffer_types.mod cp_para_types.mod cp_parser_status_types.mod cp_parser_ilist_types.mod kinds.mod cp_files.mod cp_para_env.mod message_passing.mod string_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_types.mod' due to: cp_parser_types.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_parser_status_types.mod cp_parser_inpp_types.mod cp_parser_ilist_types.mod cp_parser_buffer_types.mod cp_para_env.mod cp_files.mod kinds.mod message_passing.mod string_utilities.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_val_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/input_val_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod cp_parser_types.mod kinds.mod cp_units.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_val_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/input_val_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod cp_parser_types.mod cp_units.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/input_val_types.F input_val_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_val_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_val_types.mod' due to: input_val_types.o /build/reproducible-path/cp2k-8.1/src/input/input_val_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod cp_parser_types.mod kinds.mod cp_units.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_val_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_val_types.mod' due to: input_val_types.o /build/reproducible-path/cp2k-8.1/src/input/input_val_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod cp_parser_types.mod cp_units.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_keyword_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/input_keyword_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_val_types.mod kinds.mod print_messages.mod string_utilities.mod cp_units.mod reference_manager.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_keyword_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/input_keyword_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_val_types.mod cp_units.mod reference_manager.mod kinds.mod string_utilities.mod base_hooks.mod print_messages.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/input_keyword_types.F input_keyword_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_keyword_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_keyword_types.F90 /build/reproducible-path/cp2k-8.1/src/input/input_keyword_types.F:542:83: 542 | c_string = cp_unit_desc(keyword%unit, accept_undefined=.TRUE.) | 1 Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_keyword_types.mod' due to: input_keyword_types.o /build/reproducible-path/cp2k-8.1/src/input/input_keyword_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_val_types.mod kinds.mod print_messages.mod string_utilities.mod cp_units.mod reference_manager.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_keyword_types.mod' due to: input_keyword_types.o /build/reproducible-path/cp2k-8.1/src/input/input_keyword_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_val_types.mod cp_units.mod reference_manager.mod kinds.mod string_utilities.mod base_hooks.mod print_messages.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_linked_list_input.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_linked_list_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp input_val_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_linked_list_input.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_linked_list_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_val_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_linked_list_input.F cp_linked_list_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_linked_list_input.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_linked_list_input.mod' due to: cp_linked_list_input.o /build/reproducible-path/cp2k-8.1/src/input/cp_linked_list_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp input_val_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_linked_list_input.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_linked_list_input.mod' due to: cp_linked_list_input.o /build/reproducible-path/cp2k-8.1/src/input/cp_linked_list_input.F /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_val_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_section_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/input_section_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_val_types.mod input_keyword_types.mod cp_linked_list_input.mod kinds.mod print_messages.mod string_utilities.mod cp_log_handling.mod reference_manager.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_section_types.o' due to: /build/reproducible-path/cp2k-8.1/src/input/input_section_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod reference_manager.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_linked_list_input.mod print_messages.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/input_section_types.F input_section_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_section_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_section_types.F90 /build/reproducible-path/cp2k-8.1/src/input/input_section_types.F:904:3: 904 | FUNCTION section_get_cval(section_vals, keyword_name) RESULT(res) @@ -3105,13 +3140,11 @@ 936 | FUNCTION section_get_rvals(section_vals, keyword_name) RESULT(res) | ^ Warning: 'section_get_rvals' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_section_types.mod' due to: input_section_types.o /build/reproducible-path/cp2k-8.1/src/input/input_section_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_val_types.mod input_keyword_types.mod cp_linked_list_input.mod kinds.mod print_messages.mod string_utilities.mod cp_log_handling.mod reference_manager.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'bibliography.mod' due to: bibliography.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_section_types.mod' due to: input_section_types.o /build/reproducible-path/cp2k-8.1/src/input/input_section_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod reference_manager.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_linked_list_input.mod print_messages.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'orbital_symbols.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_symbols.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'orbital_symbols.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_symbols.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_symbols.F orbital_symbols.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' orbital_symbols.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' orbital_symbols.F90 /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_symbols.F:127:18: 127 | i = i + 1 @@ -3119,19 +3152,21 @@ Warning: 'i' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'orbital_symbols.mod' due to: orbital_symbols.o /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_symbols.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'orbital_pointers.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_pointers.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'orbital_pointers.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_pointers.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_pointers.F orbital_pointers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' orbital_pointers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' orbital_pointers.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'orbital_pointers.mod' due to: orbital_pointers.o /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_pointers.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'orbital_transformation_matrices.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_transformation_matrices.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod orbital_symbols.mod base_hooks.mod mathconstants.mod orbital_pointers.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'orbital_transformation_matrices.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_transformation_matrices.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod orbital_symbols.mod kinds.mod base_hooks.mod mathlib.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_transformation_matrices.F orbital_transformation_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' orbital_transformation_matrices.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'orbital_transformation_matrices.mod' due to: orbital_transformation_matrices.o /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_transformation_matrices.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod orbital_symbols.mod base_hooks.mod mathconstants.mod orbital_pointers.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' orbital_transformation_matrices.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'orbital_transformation_matrices.mod' due to: orbital_transformation_matrices.o /build/reproducible-path/cp2k-8.1/src/aobasis/orbital_transformation_matrices.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod orbital_symbols.mod kinds.mod base_hooks.mod mathlib.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ao_util.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ao_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod orbital_transformation_matrices.mod base_hooks.mod mathconstants.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'periodic_table.mod' due to: periodic_table.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ao_util.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ao_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod orbital_transformation_matrices.mod kinds.mod base_hooks.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ao_util.F ao_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ao_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ao_util.F90 /build/reproducible-path/cp2k-8.1/src/aobasis/ao_util.F:472:27: 472 | SUBROUTINE transform_c2s(CPC_co, CPC_so, maxl, lm1, lm2) @@ -3162,16 +3197,16 @@ 197 | r = MAX(SQRT(0.5_dp*REAL(l, dp)/a), radius) | ^ Warning: 'a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ao_util.mod' due to: ao_util.o /build/reproducible-path/cp2k-8.1/src/aobasis/ao_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod orbital_transformation_matrices.mod base_hooks.mod mathconstants.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ao_util.mod' due to: ao_util.o /build/reproducible-path/cp2k-8.1/src/aobasis/ao_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod orbital_transformation_matrices.mod kinds.mod base_hooks.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_ilist_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_ilist_types.mod base_hooks.mod cp_log_handling.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_ilist_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_ilist_types.mod cp_log_handling.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_methods.F cp_parser_ilist_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_parser_ilist_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_ilist_methods.mod' due to: cp_parser_ilist_methods.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_ilist_types.mod base_hooks.mod cp_log_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_ilist_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_ilist_methods.mod' due to: cp_parser_ilist_methods.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_ilist_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_ilist_types.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_inpp_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_inpp_types.mod kinds.mod cp_files.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_inpp_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_inpp_types.mod memory_utilities.mod cp_files.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_methods.F cp_parser_inpp_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_parser_inpp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_inpp_methods.F90 /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_methods.F:237:53: 237 | filename = "xc_section"//'/'//filename @@ -3182,11 +3217,11 @@ 605 | newline = input_line(1:pos1 - 3)//var_value//input_line(pos2 + 2:) | ^ Warning: '.var_value' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_inpp_methods.mod' due to: cp_parser_inpp_methods.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_inpp_types.mod kinds.mod cp_files.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_inpp_methods.mod' due to: cp_parser_inpp_methods.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_inpp_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_inpp_types.mod memory_utilities.mod cp_files.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod cp_parser_buffer_types.mod cp_para_types.mod kinds.mod cp_parser_ilist_methods.mod message_passing.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_parser_inpp_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_parser_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_parser_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_parser_types.mod cp_parser_buffer_types.mod kinds.mod string_utilities.mod cp_log_handling.mod cp_parser_ilist_methods.mod base_hooks.mod message_passing.mod cp_parser_inpp_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_parser_methods.F cp_parser_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_parser_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_methods.F90 /build/reproducible-path/cp2k-8.1/src/input/cp_parser_methods.F:1400:33: 1400 | object8 = object8*iz8 @@ -3197,13 +3232,13 @@ 571 | length = MIN(len_trim_inputline - parser%icol1 + 1, length) | ^ Warning: 'length' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_methods.mod' due to: cp_parser_methods.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod cp_parser_buffer_types.mod cp_para_types.mod kinds.mod cp_parser_ilist_methods.mod message_passing.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_parser_inpp_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_parser_methods.mod' due to: cp_parser_methods.o /build/reproducible-path/cp2k-8.1/src/input/cp_parser_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_parser_types.mod cp_parser_buffer_types.mod kinds.mod string_utilities.mod cp_log_handling.mod cp_parser_ilist_methods.mod base_hooks.mod message_passing.mod cp_parser_inpp_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'periodic_table.mod' due to: periodic_table.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'bibliography.mod' due to: bibliography.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'external_potential_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/external_potential_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod input_val_types.mod cp_linked_list_input.mod kinds.mod bibliography.mod ao_util.mod cp_parser_methods.mod string_utilities.mod orbital_transformation_matrices.mod memory_utilities.mod periodic_table.mod base_hooks.mod mathconstants.mod orbital_pointers.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'external_potential_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/external_potential_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod input_val_types.mod mathconstants.mod orbital_transformation_matrices.mod periodic_table.mod memory_utilities.mod kinds.mod string_utilities.mod base_hooks.mod ao_util.mod cp_linked_list_input.mod cp_parser_methods.mod mathlib.mod bibliography.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/external_potential_types.F external_potential_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:52:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' external_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' external_potential_types.F90 /build/reproducible-path/cp2k-8.1/src/subsys/external_potential_types.F:2339:120: 2339 | WRITE (line_att, '(A)') " # Potential name: "//apname2(:strlen2)//" for symbol: "//symbol2(:strlen1) @@ -3222,31 +3257,39 @@ | ^ Warning: 'strlen2' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/subsys/external_potential_types.F:1532:120: Warning: 'strlen1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'external_potential_types.mod' due to: external_potential_types.o /build/reproducible-path/cp2k-8.1/src/subsys/external_potential_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod input_val_types.mod cp_linked_list_input.mod kinds.mod bibliography.mod ao_util.mod cp_parser_methods.mod string_utilities.mod orbital_transformation_matrices.mod memory_utilities.mod periodic_table.mod base_hooks.mod mathconstants.mod orbital_pointers.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'external_potential_types.mod' due to: external_potential_types.o /build/reproducible-path/cp2k-8.1/src/subsys/external_potential_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod input_val_types.mod mathconstants.mod orbital_transformation_matrices.mod periodic_table.mod memory_utilities.mod kinds.mod string_utilities.mod base_hooks.mod ao_util.mod cp_linked_list_input.mod cp_parser_methods.mod mathlib.mod bibliography.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'shell_potential_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/shell_potential_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/shell_potential_types.F shell_potential_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' shell_potential_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'shell_potential_types.mod' due to: shell_potential_types.o /build/reproducible-path/cp2k-8.1/src/subsys/shell_potential_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'damping_dipole_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/damping_dipole_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'damping_dipole_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/damping_dipole_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/damping_dipole_types.F damping_dipole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' damping_dipole_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' damping_dipole_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'damping_dipole_types.mod' due to: damping_dipole_types.o /build/reproducible-path/cp2k-8.1/src/subsys/damping_dipole_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atomic_kind_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 external_potential_types.mod shell_potential_types.mod damping_dipole_types.mod kinds.mod periodic_table.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'shell_potential_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/shell_potential_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/shell_potential_types.F shell_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' shell_potential_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'shell_potential_types.mod' due to: shell_potential_types.o /build/reproducible-path/cp2k-8.1/src/subsys/shell_potential_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atomic_kind_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 external_potential_types.mod damping_dipole_types.mod shell_potential_types.mod periodic_table.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_types.F atomic_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atomic_kind_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atomic_kind_types.mod' due to: atomic_kind_types.o /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 external_potential_types.mod shell_potential_types.mod damping_dipole_types.mod kinds.mod periodic_table.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atomic_kind_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atomic_kind_types.mod' due to: atomic_kind_types.o /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 external_potential_types.mod damping_dipole_types.mod shell_potential_types.mod periodic_table.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'particle_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/particle_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kinds.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'particle_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/particle_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod message_passing.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/particle_types.F particle_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' particle_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'particle_types.mod' due to: particle_types.o /build/reproducible-path/cp2k-8.1/src/subsys/particle_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kinds.mod base_hooks.mod message_passing.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' particle_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'particle_types.mod' due to: particle_types.o /build/reproducible-path/cp2k-8.1/src/subsys/particle_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod message_passing.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'particle_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/particle_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/subsys/subsys_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/particle_list_types.F particle_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' particle_list_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'multipole_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/multipole_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod particle_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/multipole_types.F multipole_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' multipole_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_field_kind_types.mod' due to: force_field_kind_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'colvar_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/colvar_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'colvar_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/colvar_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/colvar_types.F colvar_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' colvar_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:01:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' colvar_types.F90 /build/reproducible-path/cp2k-8.1/src/subsys/colvar_types.F:1036:82: 1036 | INTEGER, DIMENSION(:), POINTER :: i_hydrogens, i_oxygens @@ -3310,31 +3353,26 @@ 1104 | INTEGER :: i, idum, ii, n_hydrogens, & | ^ Warning: 'n_hydrogens' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'colvar_types.mod' due to: colvar_types.o /build/reproducible-path/cp2k-8.1/src/subsys/colvar_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_field_kind_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/force_field_kind_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/force_field_kind_types.F force_field_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' force_field_kind_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_field_kind_types.mod' due to: force_field_kind_types.o /build/reproducible-path/cp2k-8.1/src/subsys/force_field_kind_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'colvar_types.mod' due to: colvar_types.o /build/reproducible-path/cp2k-8.1/src/subsys/colvar_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_output_handling.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_output_handling.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_iter_types.mod input_keyword_types.mod kinds.mod cp_files.mod message_passing.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_output_handling.o' due to: /build/reproducible-path/cp2k-8.1/src/input/cp_output_handling.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_iter_types.mod cp_files.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod message_passing.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/cp_output_handling.F cp_output_handling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_output_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_output_handling.F90 /build/reproducible-path/cp2k-8.1/src/input/cp_output_handling.F:731:23: 731 | outName = outPath | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_output_handling.mod' due to: cp_output_handling.o /build/reproducible-path/cp2k-8.1/src/input/cp_output_handling.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_iter_types.mod input_keyword_types.mod kinds.mod cp_files.mod message_passing.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_output_handling.mod' due to: cp_output_handling.o /build/reproducible-path/cp2k-8.1/src/input/cp_output_handling.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_iter_types.mod cp_files.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod message_passing.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecule_kind_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod shell_potential_types.mod colvar_types.mod cell_types.mod force_field_kind_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecule_kind_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod force_field_kind_types.mod cell_types.mod colvar_types.mod shell_potential_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_types.F molecule_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' molecule_kind_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecule_kind_types.mod' due to: molecule_kind_types.o /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod shell_potential_types.mod colvar_types.mod cell_types.mod force_field_kind_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecule_kind_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecule_kind_types.mod' due to: molecule_kind_types.o /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod force_field_kind_types.mod cell_types.mod colvar_types.mod shell_potential_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecule_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/molecule_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod colvar_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecule_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/molecule_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod colvar_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/molecule_types.F molecule_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' molecule_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecule_types.F90 /build/reproducible-path/cp2k-8.1/src/subsys/molecule_types.F:502:94: 502 | INTEGER :: first_atom, iatom, imol, last_atom, & @@ -3357,66 +3395,63 @@ Warning: 'first_atom' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecule_types.mod' due to: molecule_types.o /build/reproducible-path/cp2k-8.1/src/subsys/molecule_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod colvar_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecule_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/molecule_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/subsys/subsys_list.fypp molecule_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecule_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/molecule_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/subsys/subsys_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/molecule_list_types.F molecule_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' molecule_list_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'multipole_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/multipole_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod external_potential_types.mod particle_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/multipole_types.F multipole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' multipole_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'particle_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/particle_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/subsys/subsys_list.fypp particle_types.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/particle_list_types.F particle_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' particle_list_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecule_kind_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/subsys/subsys_list.fypp molecule_kind_types.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecule_list_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atomic_kind_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/subsys/subsys_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_list_types.F atomic_kind_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atomic_kind_list_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atprop_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/atprop_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/atprop_types.F atprop_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atprop_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecule_kind_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/subsys/subsys_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' molecule_kind_list_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'distribution_1d_types.mod' due to: distribution_1d_types.o +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecule_kind_list_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecule_kind_list_types.mod' due to: molecule_kind_list_types.o /build/reproducible-path/cp2k-8.1/src/subsys/molecule_kind_list_types.F /build/reproducible-path/cp2k-8.1/src/subsys/subsys_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecule_list_types.mod' due to: molecule_list_types.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atprop_types.mod' due to: atprop_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecule_kind_list_types.mod' due to: molecule_kind_list_types.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atomic_kind_list_types.mod' due to: atomic_kind_list_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'particle_list_types.mod' due to: particle_list_types.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'virial_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/virial_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/virial_types.F virial_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' virial_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'virial_types.mod' due to: virial_types.o /build/reproducible-path/cp2k-8.1/src/subsys/virial_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atomic_kind_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/subsys/subsys_list.fypp atomic_kind_types.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_list_types.F atomic_kind_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atomic_kind_list_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atomic_kind_list_types.mod' due to: atomic_kind_list_types.o /build/reproducible-path/cp2k-8.1/src/subsys/atomic_kind_list_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/subsys/subsys_list.fypp atomic_kind_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'distribution_1d_types.mod' due to: distribution_1d_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'multipole_types.mod' due to: multipole_types.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecule_list_types.mod' due to: molecule_list_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'virial_types.mod' due to: virial_types.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'particle_list_types.mod' due to: particle_list_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atprop_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/atprop_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/atprop_types.F atprop_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atprop_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atprop_types.mod' due to: atprop_types.o /build/reproducible-path/cp2k-8.1/src/subsys/atprop_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'multipole_types.mod' due to: multipole_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_subsys_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/cp_subsys_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod colvar_types.mod distribution_1d_types.mod molecule_list_types.mod particle_types.mod molecule_kind_list_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod molecule_types.mod cp_result_types.mod multipole_types.mod virial_types.mod cp_para_types.mod atprop_types.mod kinds.mod base_hooks.mod cp_para_env.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_subsys_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subsys/cp_subsys_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_list_types.mod particle_types.mod molecule_kind_types.mod atprop_types.mod colvar_types.mod cp_result_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod virial_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod multipole_types.mod cell_types.mod cp_para_env.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subsys/cp_subsys_types.F cp_subsys_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_subsys_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a' due to: virial_types.o molecule_list_types.o atomic_kind_types.o molecule_kind_types.o shell_potential_types.o multipole_types.o particle_list_types.o molecule_kind_list_types.o external_potential_types.o cell_types.o damping_dipole_types.o cp_subsys_types.o molecule_types.o atomic_kind_list_types.o particle_types.o force_field_kind_types.o colvar_types.o atprop_types.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a virial_types.o molecule_list_types.o atomic_kind_types.o molecule_kind_types.o shell_potential_types.o multipole_types.o particle_list_types.o molecule_kind_list_types.o external_potential_types.o cell_types.o damping_dipole_types.o cp_subsys_types.o molecule_types.o atomic_kind_list_types.o particle_types.o force_field_kind_types.o colvar_types.o atprop_types.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_blacs_calls.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_calls.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/subsys/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_subsys_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a' due to: force_field_kind_types.o particle_list_types.o multipole_types.o molecule_list_types.o atomic_kind_list_types.o shell_potential_types.o atomic_kind_types.o cell_types.o atprop_types.o particle_types.o molecule_types.o cp_subsys_types.o virial_types.o external_potential_types.o colvar_types.o damping_dipole_types.o molecule_kind_types.o molecule_kind_list_types.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a force_field_kind_types.o particle_list_types.o multipole_types.o molecule_list_types.o atomic_kind_list_types.o shell_potential_types.o atomic_kind_types.o cell_types.o atprop_types.o particle_types.o molecule_types.o cp_subsys_types.o virial_types.o external_potential_types.o colvar_types.o damping_dipole_types.o molecule_kind_types.o molecule_kind_list_types.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_blacs_calls.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_calls.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_calls.F cp_blacs_calls.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_calls.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_blacs_calls.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_calls.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_blacs_calls.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_blacs_calls.mod' due to: cp_blacs_calls.o /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_calls.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_blacs_env.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_env.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_blacs_calls.mod kinds.mod cp_para_env.mod cp_array_utils.mod message_passing.mod base_hooks.mod machine.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_blacs_env.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_env.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_para_env.mod kinds.mod message_passing.mod base_hooks.mod cp_array_utils.mod mathlib.mod cp_blacs_calls.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_env.F cp_blacs_env.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_blacs_env.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_blacs_env.mod' due to: cp_blacs_env.o /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_env.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_blacs_calls.mod kinds.mod cp_para_env.mod cp_array_utils.mod message_passing.mod base_hooks.mod machine.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_blacs_env.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_blacs_env.mod' due to: cp_blacs_env.o /build/reproducible-path/cp2k-8.1/src/fm/cp_blacs_env.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_para_env.mod kinds.mod message_passing.mod base_hooks.mod cp_array_utils.mod mathlib.mod cp_blacs_calls.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_struct.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_struct.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod cp_para_env.mod cp_blacs_env.mod message_passing.mod cp_log_handling.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_struct.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_struct.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_para_env.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_blacs_env.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_struct.F cp_fm_struct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_fm_struct.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_struct.mod' due to: cp_fm_struct.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_struct.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod cp_para_env.mod cp_blacs_env.mod message_passing.mod cp_log_handling.mod base_hooks.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_struct.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_struct.mod' due to: cp_fm_struct.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_struct.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_para_env.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_blacs_env.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod parallel_rng_types.mod cp_blacs_calls.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_log_handling.mod cp_fm_struct.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod parallel_rng_types.mod cp_fm_struct.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod cp_blacs_calls.mod cp_blacs_env.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_types.F cp_fm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_fm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_types.F90 /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_types.F:1894:40: 1894 | SUBROUTINE cp_fm_to_fm_submat_general(source, & @@ -3437,34 +3472,21 @@ 978 | ic_max_vec(mepos) = col_indices(ic_max_local) | ^ Warning: 'ic_max_local' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_types.mod' due to: cp_fm_types.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod parallel_rng_types.mod cp_blacs_calls.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_log_handling.mod cp_fm_struct.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_linked_list_fm.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_linked_list_fm.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp cp_fm_types.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_linked_list_fm.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_linked_list_fm.mod' due to: cp_linked_list_fm.o /build/reproducible-path/cp2k-8.1/src/fm/cp_linked_list_fm.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp cp_fm_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_types.mod' due to: cp_fm_types.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod parallel_rng_types.mod cp_fm_struct.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod cp_blacs_calls.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_pool_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_pool_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_linked_list_fm.mod cp_log_handling.mod cp_fm_struct.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_fm_pool_types.F90 -/build/reproducible-path/cp2k-8.1/src/fm/cp_fm_pool_types.F:259:27: - - 259 | SUBROUTINE fm_pools_copy(source_pools, target_pools) - | ^ -Warning: 'fm_pools_copy' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_cfm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod cp_blacs_calls.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_log_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_cfm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod mathconstants.mod cp_fm_struct.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod cp_blacs_calls.mod cp_blacs_env.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_types.F cp_cfm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_cfm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_cfm_types.F90 /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_types.F:824:38: 824 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) | ^ Warning: 'cp_cfm_to_cfm_triangular' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_cfm_types.mod' due to: cp_cfm_types.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_cfm_types.mod' due to: cp_cfm_types.o /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod mathconstants.mod cp_fm_struct.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod cp_blacs_calls.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_cfm_basic_linalg.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod kinds.mod kahan_sum.mod message_passing.mod cp_blacs_env.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_cfm_basic_linalg.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod mathconstants.mod cp_fm_struct.mod kinds.mod base_hooks.mod kahan_sum.mod message_passing.mod cp_blacs_env.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_cfm_basic_linalg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_cfm_basic_linalg.F90 /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F:107:37: 107 | SUBROUTINE cp_cfm_schur_product_cc(matrix_a, matrix_b, matrix_c) @@ -3475,22 +3497,9 @@ 1285 | ALLOCATE (work(lwork)) | ^ Warning: 'lwork' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_cfm_basic_linalg.mod' due to: cp_cfm_basic_linalg.o /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod kinds.mod kahan_sum.mod message_passing.mod cp_blacs_env.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_cfm_diag.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_diag.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod kinds.mod cp_cfm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_cfm_diag.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_vect.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_vect.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_vect.F cp_fm_vect.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_vect.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_fm_vect.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_diag_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod kinds.mod cp_para_env.mod cp_blacs_env.mod message_passing.mod cp_log_handling.mod cp_fm_struct.mod base_hooks.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_fm_diag_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_diag_utils.mod' due to: cp_fm_diag_utils.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod kinds.mod cp_para_env.mod cp_blacs_env.mod message_passing.mod cp_log_handling.mod cp_fm_struct.mod base_hooks.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_basic_linalg.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_basic_linalg.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod kahan_sum.mod message_passing.mod cp_blacs_env.mod cp_log_handling.mod cp_fm_struct.mod base_hooks.mod machine.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_basic_linalg.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_basic_linalg.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod kinds.mod cp_log_handling.mod base_hooks.mod kahan_sum.mod mathlib.mod message_passing.mod cp_blacs_env.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_fm_basic_linalg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_basic_linalg.F90 /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_basic_linalg.F:196:25: 196 | SUBROUTINE cp_fm_geadd(alpha, trans, matrix_a, beta, matrix_b) @@ -3516,53 +3525,76 @@ 1625 | IF (PRESENT(det_a)) det_a = determinant | ^ Warning: 'determinant' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_basic_linalg.mod' due to: cp_fm_basic_linalg.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_basic_linalg.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod kahan_sum.mod message_passing.mod cp_blacs_env.mod cp_log_handling.mod cp_fm_struct.mod base_hooks.mod machine.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_basic_linalg.mod' due to: cp_fm_basic_linalg.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_basic_linalg.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod kinds.mod cp_log_handling.mod base_hooks.mod kahan_sum.mod mathlib.mod message_passing.mod cp_blacs_env.mod machine.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_diag_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_para_env.mod cp_fm_struct.mod kinds.mod cp_log_handling.mod base_hooks.mod mathlib.mod message_passing.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_diag_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_diag_utils.mod' due to: cp_fm_diag_utils.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_para_env.mod cp_fm_struct.mod kinds.mod cp_log_handling.mod base_hooks.mod mathlib.mod message_passing.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_elpa.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_elpa.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod cp_fm_diag_utils.mod machine.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_elpa.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_elpa.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_fm_diag_utils.mod message_passing.mod cp_blacs_env.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_elpa.F cp_fm_elpa.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_fm_elpa.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_cholesky.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_cholesky.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod cp_blacs_env.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_fm_cholesky.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_cholesky.mod' due to: cp_fm_cholesky.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_cholesky.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod cp_blacs_env.mod cp_log_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_elpa.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_elpa.mod' due to: cp_fm_elpa.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_elpa.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_fm_diag_utils.mod message_passing.mod cp_blacs_env.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_elpa.mod' due to: cp_fm_elpa.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_cholesky.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_cholesky.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_cholesky.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_cholesky.mod' due to: cp_fm_cholesky.o /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_cholesky.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_diag.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod cp_blacs_calls.mod kinds.mod cp_fm_cholesky.mod cp_blacs_env.mod cp_para_env.mod message_passing.mod cp_fm_elpa.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod cp_fm_diag_utils.mod machine.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_diag.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_para_env.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod cp_fm_elpa.mod cp_blacs_env.mod cp_fm_diag_utils.mod cp_blacs_calls.mod cp_fm_cholesky.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_diag.F cp_fm_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_fm_diag.F90 -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a' due to: cp_fm_pool_types.o cp_cfm_types.o cp_cfm_diag.o cp_fm_vect.o cp_fm_elpa.o cp_fm_diag.o cp_fm_basic_linalg.o cp_fm_struct.o cp_cfm_basic_linalg.o cp_fm_types.o cp_blacs_calls.o cp_blacs_env.o cp_fm_cholesky.o cp_fm_diag_utils.o cp_linked_list_fm.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a cp_fm_pool_types.o cp_cfm_types.o cp_cfm_diag.o cp_fm_vect.o cp_fm_elpa.o cp_fm_diag.o cp_fm_basic_linalg.o cp_fm_struct.o cp_cfm_basic_linalg.o cp_fm_types.o cp_blacs_calls.o cp_blacs_env.o cp_fm_cholesky.o cp_fm_diag_utils.o cp_linked_list_fm.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_oneelectron.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_oneelectron.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod orbital_pointers.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_diag.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_vect.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_vect.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_vect.F cp_fm_vect.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_vect.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_vect.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_linked_list_fm.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_linked_list_fm.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_linked_list_fm.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_cfm_basic_linalg.mod' due to: cp_cfm_basic_linalg.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_cfm_diag.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_diag.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod kinds.mod base_hooks.mod cp_cfm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_cfm_diag.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_linked_list_fm.mod' due to: cp_linked_list_fm.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_fm_pool_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_pool_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod cp_linked_list_fm.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/fm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_pool_types.F90 +/build/reproducible-path/cp2k-8.1/src/fm/cp_fm_pool_types.F:259:27: + + 259 | SUBROUTINE fm_pools_copy(source_pools, target_pools) + | ^ +Warning: 'fm_pools_copy' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a' due to: cp_cfm_basic_linalg.o cp_fm_diag.o cp_cfm_types.o cp_fm_struct.o cp_fm_types.o cp_fm_vect.o cp_linked_list_fm.o cp_cfm_diag.o cp_blacs_env.o cp_blacs_calls.o cp_fm_diag_utils.o cp_fm_pool_types.o cp_fm_cholesky.o cp_fm_basic_linalg.o cp_fm_elpa.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a cp_cfm_basic_linalg.o cp_fm_diag.o cp_cfm_types.o cp_fm_struct.o cp_fm_types.o cp_fm_vect.o cp_linked_list_fm.o cp_cfm_diag.o cp_blacs_env.o cp_blacs_calls.o cp_fm_diag_utils.o cp_fm_pool_types.o cp_fm_cholesky.o cp_fm_basic_linalg.o cp_fm_elpa.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_oneelectron.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_oneelectron.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_oneelectron.F ai_oneelectron.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_oneelectron.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_oneelectron.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'sto_ng.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/sto_ng.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/sto_ng.F sto_ng.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' sto_ng.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap_debug.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_debug.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_debug.F ai_overlap_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap_debug.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_derivatives.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_derivatives.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_derivatives.F ai_derivatives.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_derivatives.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_derivatives.mod' due to: ai_derivatives.o /build/reproducible-path/cp2k-8.1/src/aobasis/ai_derivatives.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod base_hooks.mod +true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gamma.mod' due to: gamma.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_verfc.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_verfc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod orbital_pointers.mod gamma.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_verfc.F ai_verfc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_verfc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_angmom.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_angmom.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_angmom.F ai_angmom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_angmom.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_contraction.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction.F ai_contraction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_contraction.F90 -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction.F:84:88: - - 84 | INTEGER :: lda, ldb, ldq, lds, ldw, mal, mbl, nal, & - | ^ -Warning: 'mal' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_os_rr.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_os_rr.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod gamma.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_os_rr.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_os_rr.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod gamma.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_os_rr.F ai_os_rr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_os_rr.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_os_rr.mod' due to: ai_os_rr.o /build/reproducible-path/cp2k-8.1/src/aobasis/ai_os_rr.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod gamma.mod orbital_pointers.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_os_rr.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_os_rr.mod' due to: ai_os_rr.o /build/reproducible-path/cp2k-8.1/src/aobasis/ai_os_rr.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod gamma.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod orbital_transformation_matrices.mod ai_os_rr.mod base_hooks.mod mathconstants.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod orbital_transformation_matrices.mod kinds.mod base_hooks.mod ai_os_rr.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap.F ai_overlap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_overlap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap.F90 /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap.F:1364:26: 1364 | SUBROUTINE overlap_aaab(la1_max, la1_min, npgfa1, rpgfa1, zeta1, & @@ -3578,80 +3610,82 @@ 1776 | SUBROUTINE overlap_abbb(la_max, la_min, npgfa, rpgfa, zeta, & | ^ Warning: 'overlap_abbb' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_overlap.mod' due to: ai_overlap.o /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod orbital_transformation_matrices.mod ai_os_rr.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_derivatives.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_derivatives.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_derivatives.F ai_derivatives.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:55 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_derivatives.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_derivatives.mod' due to: ai_derivatives.o /build/reproducible-path/cp2k-8.1/src/aobasis/ai_derivatives.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_overlap.mod' due to: ai_overlap.o /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod orbital_transformation_matrices.mod kinds.mod base_hooks.mod ai_os_rr.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_moments.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_moments.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod ai_overlap.mod ai_derivatives.mod base_hooks.mod mathconstants.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_moments.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_moments.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod kinds.mod base_hooks.mod ai_derivatives.mod ai_overlap.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_moments.F ai_moments.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:53:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_moments.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_moments.F90 /build/reproducible-path/cp2k-8.1/src/aobasis/ai_moments.F:883:46: 883 | s(1, 1, l) = rpc(i)*s(1, 1, l1) | ^ Warning: 'l1' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/aobasis/ai_moments.F:883:46: Warning: 'i' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap3.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F ai_overlap3.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_overlap3.F90 -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:1150:85: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_verfc.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_verfc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod kinds.mod gamma.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_verfc.F ai_verfc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_verfc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_onecenter.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F ai_onecenter.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_onecenter.F90 +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:798:22: - 1150 | fax*s(coamx, cob, coc) - | ^ -Warning: 'sda.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: + 798 | SUBROUTINE sto_conf(gmat, rc, k, na, pa, nb, pb) + | ^ +Warning: 'sto_conf' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:870:25: - 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc - | ^ -note: 'sda.offset' was declared here -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:1150:85: + 870 | SUBROUTINE num_overlap(smat, ra, rb, wr) + | ^ +Warning: 'num_overlap' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:907:25: - 1150 | fax*s(coamx, cob, coc) - | ^ -Warning: 'sda.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: + 907 | SUBROUTINE num_kinetic(kmat, l, ra, dra, rb, drb, r, wr) + | ^ +Warning: 'num_kinetic' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:943:25: - 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc - | ^ -note: 'sda.dim[2].stride' was declared here -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:1150:85: + 943 | SUBROUTINE num_nuclear(umat, ra, rb, r, wr) + | ^ +Warning: 'num_nuclear' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:980:24: - 1150 | fax*s(coamx, cob, coc) - | ^ -Warning: 'sda.dim[3].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: + 980 | SUBROUTINE num_kinnuc(umat, l, ra, dra, rb, drb, r, wr) + | ^ +Warning: 'num_kinnuc' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:1017:21: - 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc - | ^ -note: 'sda.dim[3].stride' was declared here -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: Warning: 'sda.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: + 1017 | SUBROUTINE num_erf(upmat, a, ra, rb, r, wr) + | ^ +Warning: 'num_erf' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:1062:25: - 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc - | ^ -Warning: 'sdc.dim[3].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: Warning: 'sdc.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: Warning: 'sdc.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: Warning: 'sdc.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'sto_ng.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/sto_ng.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/sto_ng.F sto_ng.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' sto_ng.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap_debug.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_debug.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_debug.F ai_overlap_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_overlap_debug.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_overlap_debug.mod' due to: ai_overlap_debug.o -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_oneelectron.mod' due to: ai_oneelectron.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap_ppl.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_ppl.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod ai_overlap_debug.mod ai_oneelectron.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_ppl.F ai_overlap_ppl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_overlap_ppl.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_kinetic.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_kinetic.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod ai_os_rr.mod base_hooks.mod mathconstants.mod orbital_pointers.mod + 1062 | SUBROUTINE num_proj_ol(spmat, l, ra, k, rc, r, wr) + | ^ +Warning: 'num_proj_ol' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:1110:22: + + 1110 | SUBROUTINE num_gpot(vpmat, k, rc, ra, rb, r, wr) + | ^ +Warning: 'num_gpot' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:1156:22: + + 1156 | SUBROUTINE num_conf(gmat, rc, k, ra, rb, r, wr) + | ^ +Warning: 'num_conf' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod kinds.mod gamma.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb.F ai_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:02:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_coulomb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_eri_debug.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_eri_debug.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod gamma.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_eri_debug.F ai_eri_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_eri_debug.F90 +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_eri_debug.F:56:21: + + 56 | SUBROUTINE init_os(ya, yb, yc, yd, rA, rB, rC, rD) + | ^ +Warning: 'init_os' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_kinetic.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_kinetic.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod kinds.mod base_hooks.mod ai_os_rr.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_kinetic.F ai_kinetic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_kinetic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_kinetic.F90 /build/reproducible-path/cp2k-8.1/src/aobasis/ai_kinetic.F:73:77: 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & @@ -3667,16 +3701,19 @@ 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & | ^ Warning: 'idx' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod orbital_pointers.mod gamma.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb.F ai_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_coulomb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_coulomb.mod' due to: ai_coulomb.o /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod orbital_pointers.mod gamma.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap_aabb.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_aabb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_aabb.F ai_overlap_aabb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap_aabb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_spin_orbit.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_spin_orbit.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod kinds.mod base_hooks.mod ai_os_rr.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_spin_orbit.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_coulomb.mod' due to: ai_coulomb.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'sto_ng.mod' due to: sto_ng.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'basis_set_types.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod input_val_types.mod cp_linked_list_input.mod kinds.mod bibliography.mod util.mod cp_parser_methods.mod string_utilities.mod orbital_symbols.mod orbital_transformation_matrices.mod memory_utilities.mod ai_coulomb.mod sto_ng.mod base_hooks.mod mathconstants.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'basis_set_types.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod input_val_types.mod ai_coulomb.mod mathconstants.mod orbital_transformation_matrices.mod memory_utilities.mod sto_ng.mod orbital_symbols.mod kinds.mod string_utilities.mod base_hooks.mod cp_linked_list_input.mod cp_parser_methods.mod bibliography.mod orbital_pointers.mod util.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_types.F basis_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' basis_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' basis_set_types.F90 /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_types.F:507:37: 507 | bout%name = bout%name//bad%name @@ -3720,141 +3757,134 @@ 2412 | gto_basis_set%nset = nset | ^ Warning: 'nshell' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'basis_set_types.mod' due to: basis_set_types.o /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod input_val_types.mod cp_linked_list_input.mod kinds.mod bibliography.mod util.mod cp_parser_methods.mod string_utilities.mod orbital_symbols.mod orbital_transformation_matrices.mod memory_utilities.mod ai_coulomb.mod sto_ng.mod base_hooks.mod mathconstants.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_overlap_debug.mod' due to: ai_overlap_debug.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'soft_basis_set.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/soft_basis_set.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod ao_util.mod orbital_symbols.mod memory_utilities.mod base_hooks.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/soft_basis_set.F soft_basis_set.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' soft_basis_set.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_elec_field.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_elec_field.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod ai_os_rr.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_elec_field.F ai_elec_field.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_elec_field.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_fermi_contact.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_fermi_contact.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_fermi_contact.F ai_fermi_contact.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_fermi_contact.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_contraction_sphi.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction_sphi.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction_sphi.F ai_contraction_sphi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_contraction_sphi.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_spin_orbit.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_spin_orbit.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod ai_os_rr.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_spin_orbit.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap_aabb.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_aabb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_aabb.F ai_overlap_aabb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_overlap_aabb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'aux_basis_set.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/aux_basis_set.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod orbital_symbols.mod base_hooks.mod orbital_pointers.mod lapack.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_oneelectron.mod' due to: ai_oneelectron.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap_ppl.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_ppl.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod ai_overlap_debug.mod kinds.mod base_hooks.mod orbital_pointers.mod ai_oneelectron.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap_ppl.F ai_overlap_ppl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap_ppl.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'basis_set_types.mod' due to: basis_set_types.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'aux_basis_set.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/aux_basis_set.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_symbols.mod kinds.mod base_hooks.mod lapack.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/aux_basis_set.F aux_basis_set.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' aux_basis_set.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap3_debug.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3_debug.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' aux_basis_set.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_angmom.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_angmom.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_angmom.F ai_angmom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_angmom.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap3_debug.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3_debug.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3_debug.F ai_overlap3_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_overlap3_debug.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'basis_set_container_types.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_container_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap3_debug.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'basis_set_container_types.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_container_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_container_types.F basis_set_container_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' basis_set_container_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' basis_set_container_types.F90 /build/reproducible-path/cp2k-8.1/src/aobasis/basis_set_container_types.F:171:77: 171 | INTEGER :: basis_nr, i, ibas | ^ Warning: 'ibas' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_eri_debug.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_eri_debug.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod gamma.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_eri_debug.F ai_eri_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_eri_debug.F90 -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_eri_debug.F:56:21: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_contraction.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction.F ai_contraction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_contraction.F90 +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction.F:84:88: - 56 | SUBROUTINE init_os(ya, yb, yc, yd, rA, rB, rC, rD) - | ^ -Warning: 'init_os' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_operator_ra2m.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operator_ra2m.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod ai_os_rr.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operator_ra2m.F ai_operator_ra2m.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_operator_ra2m.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_coulomb_test.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb_test.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod ai_coulomb.mod base_hooks.mod orbital_pointers.mod machine.mod + 84 | INTEGER :: lda, ldb, ldq, lds, ldw, mal, mbl, nal, & + | ^ +Warning: 'mal' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_fermi_contact.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_fermi_contact.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_fermi_contact.F ai_fermi_contact.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_fermi_contact.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_coulomb_test.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb_test.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ai_coulomb.mod kinds.mod base_hooks.mod orbital_pointers.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_coulomb_test.F ai_coulomb_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_coulomb_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_coulomb_test.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 't_c_g0.mod' due to: t_c_g0.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_operators_r12.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operators_r12.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod orbital_pointers.mod gamma.mod t_c_g0.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_operators_r12.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operators_r12.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod t_c_g0.mod kinds.mod gamma.mod base_hooks.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operators_r12.F ai_operators_r12.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_operators_r12.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_onecenter.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F ai_onecenter.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ai_onecenter.F90 -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:798:22: - - 798 | SUBROUTINE sto_conf(gmat, rc, k, na, pa, nb, pb) - | ^ -Warning: 'sto_conf' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:870:25: - - 870 | SUBROUTINE num_overlap(smat, ra, rb, wr) - | ^ -Warning: 'num_overlap' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:907:25: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_operators_r12.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_operator_ra2m.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operator_ra2m.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod kinds.mod base_hooks.mod ai_os_rr.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_operator_ra2m.F ai_operator_ra2m.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_operator_ra2m.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'soft_basis_set.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/soft_basis_set.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod memory_utilities.mod orbital_symbols.mod kinds.mod base_hooks.mod ao_util.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/soft_basis_set.F soft_basis_set.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' soft_basis_set.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_overlap3.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F ai_overlap3.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap3.F90 +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:1150:85: - 907 | SUBROUTINE num_kinetic(kmat, l, ra, dra, rb, drb, r, wr) - | ^ -Warning: 'num_kinetic' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:943:25: + 1150 | fax*s(coamx, cob, coc) + | ^ +Warning: 'sda.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: - 943 | SUBROUTINE num_nuclear(umat, ra, rb, r, wr) - | ^ -Warning: 'num_nuclear' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:980:24: + 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc + | ^ +note: 'sda.offset' was declared here +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:1150:85: - 980 | SUBROUTINE num_kinnuc(umat, l, ra, dra, rb, drb, r, wr) - | ^ -Warning: 'num_kinnuc' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:1017:21: + 1150 | fax*s(coamx, cob, coc) + | ^ +Warning: 'sda.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: - 1017 | SUBROUTINE num_erf(upmat, a, ra, rb, r, wr) - | ^ -Warning: 'num_erf' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:1062:25: + 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc + | ^ +note: 'sda.dim[2].stride' was declared here +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:1150:85: - 1062 | SUBROUTINE num_proj_ol(spmat, l, ra, k, rc, r, wr) - | ^ -Warning: 'num_proj_ol' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:1110:22: + 1150 | fax*s(coamx, cob, coc) + | ^ +Warning: 'sda.dim[3].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: - 1110 | SUBROUTINE num_gpot(vpmat, k, rc, ra, rb, r, wr) - | ^ -Warning: 'num_gpot' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/aobasis/ai_onecenter.F:1156:22: + 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc + | ^ +note: 'sda.dim[3].stride' was declared here +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: Warning: 'sda.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: - 1156 | SUBROUTINE num_conf(gmat, rc, k, ra, rb, r, wr) - | ^ -Warning: 'num_conf' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a' due to: ai_oneelectron.o ai_verfc.o ai_angmom.o ai_contraction.o ai_moments.o ai_overlap3.o sto_ng.o ai_overlap_debug.o ai_overlap_ppl.o ai_overlap.o ai_kinetic.o soft_basis_set.o ai_elec_field.o ai_derivatives.o ai_fermi_contact.o ai_contraction_sphi.o ai_spin_orbit.o ai_overlap_aabb.o aux_basis_set.o orbital_pointers.o ai_overlap3_debug.o basis_set_types.o basis_set_container_types.o ai_eri_debug.o ai_coulomb.o ao_util.o ai_operator_ra2m.o ai_coulomb_test.o ai_os_rr.o orbital_symbols.o ai_operators_r12.o orbital_transformation_matrices.o ai_onecenter.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a ai_oneelectron.o ai_verfc.o ai_angmom.o ai_contraction.o ai_moments.o ai_overlap3.o sto_ng.o ai_overlap_debug.o ai_overlap_ppl.o ai_overlap.o ai_kinetic.o soft_basis_set.o ai_elec_field.o ai_derivatives.o ai_fermi_contact.o ai_contraction_sphi.o ai_spin_orbit.o ai_overlap_aabb.o aux_basis_set.o orbital_pointers.o ai_overlap3_debug.o basis_set_types.o basis_set_container_types.o ai_eri_debug.o ai_coulomb.o ao_util.o ai_operator_ra2m.o ai_coulomb_test.o ai_os_rr.o orbital_symbols.o ai_operators_r12.o orbital_transformation_matrices.o ai_onecenter.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_parsing.o' due to: /build/reproducible-path/cp2k-8.1/src/input/input_parsing.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_parser_types.mod input_val_types.mod input_keyword_types.mod cp_linked_list_input.mod kinds.mod cp_parser_methods.mod string_utilities.mod cp_units.mod cp_log_handling.mod base_hooks.mod + 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc + | ^ +Warning: 'sdc.dim[3].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: Warning: 'sdc.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: Warning: 'sdc.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: Warning: 'sdc.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_contraction_sphi.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction_sphi.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_contraction_sphi.F ai_contraction_sphi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_contraction_sphi.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ai_elec_field.o' due to: /build/reproducible-path/cp2k-8.1/src/aobasis/ai_elec_field.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod kinds.mod base_hooks.mod ai_os_rr.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/aobasis/ai_elec_field.F ai_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/reproducible-path/cp2k-8.1/src/aobasis/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_elec_field.F90 +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a' due to: ai_oneelectron.o sto_ng.o ai_overlap_debug.o ai_moments.o ai_verfc.o ai_onecenter.o orbital_pointers.o ai_coulomb.o ai_eri_debug.o ai_kinetic.o ai_derivatives.o ai_overlap_aabb.o ai_spin_orbit.o ai_os_rr.o basis_set_types.o ai_overlap.o orbital_transformation_matrices.o ai_overlap_ppl.o aux_basis_set.o ai_angmom.o ai_overlap3_debug.o basis_set_container_types.o ao_util.o ai_contraction.o ai_fermi_contact.o ai_coulomb_test.o ai_operators_r12.o ai_operator_ra2m.o soft_basis_set.o ai_overlap3.o ai_contraction_sphi.o orbital_symbols.o ai_elec_field.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a ai_oneelectron.o sto_ng.o ai_overlap_debug.o ai_moments.o ai_verfc.o ai_onecenter.o orbital_pointers.o ai_coulomb.o ai_eri_debug.o ai_kinetic.o ai_derivatives.o ai_overlap_aabb.o ai_spin_orbit.o ai_os_rr.o basis_set_types.o ai_overlap.o orbital_transformation_matrices.o ai_overlap_ppl.o aux_basis_set.o ai_angmom.o ai_overlap3_debug.o basis_set_container_types.o ao_util.o ai_contraction.o ai_fermi_contact.o ai_coulomb_test.o ai_operators_r12.o ai_operator_ra2m.o soft_basis_set.o ai_overlap3.o ai_contraction_sphi.o orbital_symbols.o ai_elec_field.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_parsing.o' due to: /build/reproducible-path/cp2k-8.1/src/input/input_parsing.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_parser_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_linked_list_input.mod cp_parser_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input/input_parsing.F input_parsing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_parsing.F90 -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a' due to: cp_parser_inpp_types.o input_parsing.o input_enumeration_types.o cp_parser_ilist_types.o cp_output_handling.o cp_parser_buffer_types.o cp_parser_types.o cp_parser_methods.o cp_linked_list_input.o input_section_types.o input_val_types.o cp_parser_ilist_methods.o cp_parser_status_types.o input_keyword_types.o cp_parser_inpp_methods.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a cp_parser_inpp_types.o input_parsing.o input_enumeration_types.o cp_parser_ilist_types.o cp_output_handling.o cp_parser_buffer_types.o cp_parser_types.o cp_parser_methods.o cp_linked_list_input.o input_section_types.o input_val_types.o cp_parser_ilist_methods.o cp_parser_status_types.o input_keyword_types.o cp_parser_inpp_methods.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_linked_list_pw.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/cp_linked_list_pw.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp realspace_grid_types.mod pw_types.mod kinds.mod cp_array_utils.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/reproducible-path/cp2k-8.1/src/input/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_parsing.F90 +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a' due to: cp_parser_types.o input_enumeration_types.o input_keyword_types.o cp_parser_ilist_methods.o input_parsing.o cp_parser_buffer_types.o cp_parser_ilist_types.o cp_parser_status_types.o cp_parser_methods.o cp_output_handling.o cp_linked_list_input.o input_val_types.o input_section_types.o cp_parser_inpp_methods.o cp_parser_inpp_types.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a cp_parser_types.o input_enumeration_types.o input_keyword_types.o cp_parser_ilist_methods.o input_parsing.o cp_parser_buffer_types.o cp_parser_ilist_types.o cp_parser_status_types.o cp_parser_methods.o cp_output_handling.o cp_linked_list_input.o input_val_types.o input_section_types.o cp_parser_inpp_methods.o cp_parser_inpp_types.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_linked_list_pw.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/cp_linked_list_pw.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod realspace_grid_types.mod kinds.mod base_hooks.mod cp_array_utils.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/cp_linked_list_pw.F cp_linked_list_pw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_linked_list_pw.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_linked_list_pw.mod' due to: cp_linked_list_pw.o /build/reproducible-path/cp2k-8.1/src/pw/cp_linked_list_pw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp realspace_grid_types.mod pw_types.mod kinds.mod cp_array_utils.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_linked_list_pw.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_linked_list_pw.mod' due to: cp_linked_list_pw.o /build/reproducible-path/cp2k-8.1/src/pw/cp_linked_list_pw.F /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod realspace_grid_types.mod kinds.mod base_hooks.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_pool_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_pool_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod timings.mod pw_grids.mod pw_methods.mod cp_log_handling.mod base_hooks.mod cp_linked_list_pw.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_pool_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_pool_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_grids.mod kinds.mod cp_log_handling.mod base_hooks.mod pw_methods.mod timings.mod cp_linked_list_pw.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_pool_types.F pw_pool_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_pool_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_pool_types.mod' due to: pw_pool_types.o /build/reproducible-path/cp2k-8.1/src/pw/pw_pool_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod timings.mod pw_grids.mod pw_methods.mod cp_log_handling.mod base_hooks.mod cp_linked_list_pw.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dielectric_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dielectric_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dielectric_types.F dielectric_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dielectric_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lazy.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/lazy.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_pool_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lazy.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/lazy.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/lazy.F lazy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lazy.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lazy.mod' due to: lazy.o +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lazy.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lazy.mod' due to: lazy.o /build/reproducible-path/cp2k-8.1/src/pw/lazy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_scaling_function.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod lazy.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_scaling_function.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod lazy.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F ps_wavelet_scaling_function.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ps_wavelet_scaling_function.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_scaling_function.F90 /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F:92:30: 92 | SUBROUTINE wavelet_function(itype, nd, a, x) @@ -3870,19 +3900,24 @@ 296 | SUBROUTINE ftest(m, ch, cg, cgt, cht) | ^ Warning: 'ftest' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rs_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/rs_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod realspace_grid_types.mod pw_types.mod kinds.mod pw_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/rs_methods.F rs_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rs_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dirichlet_bc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_types.F ps_wavelet_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_pool_types.mod' due to: pw_pool_types.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dirichlet_bc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_types.F dirichlet_bc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dirichlet_bc_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dirichlet_bc_types.mod' due to: dirichlet_bc_types.o +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dirichlet_bc_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dirichlet_bc_types.mod' due to: dirichlet_bc_types.o /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dielectric_types.mod' due to: dielectric_types.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dielectric_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dielectric_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dielectric_types.F dielectric_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dielectric_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dielectric_types.mod' due to: dielectric_types.o /build/reproducible-path/cp2k-8.1/src/pw/dielectric_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dct.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dct.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod message_passing.mod pw_grids.mod fast.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dct.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dct.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_grids.mod kinds.mod base_hooks.mod message_passing.mod fast.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dct.F dct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:54:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dct.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dct.F90 /build/reproducible-path/cp2k-8.1/src/pw/dct.F:459:59: 459 | ALLOCATE (srcs_expand_all(maxn_sendrecv, group_size)) @@ -3943,66 +3978,40 @@ 113 | ALLOCATE (dct_env%flipg_stat(maxn_sendrecv)) | ^ Warning: 'maxn_sendrecv' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dct.mod' due to: dct.o /build/reproducible-path/cp2k-8.1/src/pw/dct.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod message_passing.mod pw_grids.mod fast.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dct.mod' due to: dct.o /build/reproducible-path/cp2k-8.1/src/pw/dct.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_grids.mod kinds.mod base_hooks.mod message_passing.mod fast.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_implicit_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod dirichlet_bc_types.mod pw_types.mod dielectric_types.mod kinds.mod dct.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_implicit_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod dirichlet_bc_types.mod pw_pool_types.mod dielectric_types.mod dct.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_types.F ps_implicit_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ps_implicit_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_types.F ps_wavelet_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ps_wavelet_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rs_methods.mod' due to: rs_methods.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dielectric_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dielectric_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod realspace_grid_types.mod pw_types.mod dielectric_types.mod kinds.mod pw_methods.mod dct.mod base_hooks.mod mathconstants.mod rs_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dielectric_methods.F dielectric_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dielectric_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_fft3d.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_fft3d.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_fft3d.F ps_wavelet_fft3d.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ps_wavelet_fft3d.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_fft3d.mod' due to: ps_wavelet_fft3d.o /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_fft3d.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_base.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_base.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod ps_wavelet_fft3d.mod message_passing.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_base.F ps_wavelet_base.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ps_wavelet_base.F90 -/build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_base.F:2103:31: - - 2103 | SUBROUTINE F_unfill_downcorn(md1, md3, lot, nfft, n3, zw, zf, scal, ehartreetmp) - | ^ -Warning: 'f_unfill_downcorn' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_base.mod' due to: ps_wavelet_base.o /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_base.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod ps_wavelet_fft3d.mod message_passing.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_util.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod kinds.mod base_hooks.mod ps_wavelet_fft3d.mod mathconstants.mod ps_wavelet_base.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_util.F ps_wavelet_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ps_wavelet_util.F90 -/build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_util.F:155:58: - - 155 | DO i2 = istart + 1, MIN(nlim, istart + md2/nproc) - | ^ -Warning: 'nlim' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mt_util.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/mt_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_types.mod kinds.mod bibliography.mod pw_methods.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/mt_util.F mt_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mt_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_implicit_types.mod' due to: ps_implicit_types.o +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_implicit_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_implicit_types.mod' due to: ps_implicit_types.o /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod dirichlet_bc_types.mod pw_pool_types.mod dielectric_types.mod dct.mod kinds.mod base_hooks.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_types.mod' due to: ps_wavelet_types.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'bessel_lib.mod' due to: bessel_lib.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mt_util.mod' due to: mt_util.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mt_util.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/mt_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_pool_types.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/mt_util.F mt_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mt_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mt_util.mod' due to: mt_util.o /build/reproducible-path/cp2k-8.1/src/pw/mt_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_pool_types.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_poisson_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod ps_implicit_types.mod dirichlet_bc_types.mod realspace_grid_types.mod pw_types.mod dielectric_types.mod ps_wavelet_types.mod kinds.mod bessel_lib.mod pw_grids.mod mt_util.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_poisson_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ps_implicit_types.mod pw_grid_types.mod pw_types.mod dirichlet_bc_types.mod pw_pool_types.mod ps_wavelet_types.mod dielectric_types.mod realspace_grid_types.mod mathconstants.mod pw_grids.mod kinds.mod bessel_lib.mod base_hooks.mod mt_util.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_types.F pw_poisson_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_poisson_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_poisson_types.F90 /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_types.F:445:29: 445 | SUBROUTINE pw_green_retain(gftype) | ^ Warning: 'pw_green_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_poisson_types.mod' due to: pw_poisson_types.o /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod ps_implicit_types.mod dirichlet_bc_types.mod realspace_grid_types.mod pw_types.mod dielectric_types.mod ps_wavelet_types.mod kinds.mod bessel_lib.mod pw_grids.mod mt_util.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_poisson_types.mod' due to: pw_poisson_types.o /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ps_implicit_types.mod pw_grid_types.mod pw_types.mod dirichlet_bc_types.mod pw_pool_types.mod ps_wavelet_types.mod dielectric_types.mod realspace_grid_types.mod mathconstants.mod pw_grids.mod kinds.mod bessel_lib.mod base_hooks.mod mt_util.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rs_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/rs_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_pool_types.mod realspace_grid_types.mod kinds.mod base_hooks.mod pw_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/rs_methods.F rs_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rs_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rs_methods.mod' due to: rs_methods.o /build/reproducible-path/cp2k-8.1/src/pw/rs_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_pool_types.mod realspace_grid_types.mod kinds.mod base_hooks.mod pw_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dirichlet_bc_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod ps_implicit_types.mod dirichlet_bc_types.mod pw_types.mod pw_poisson_types.mod kinds.mod message_passing.mod physcon.mod pw_methods.mod cp_log_handling.mod base_hooks.mod mathconstants.mod rs_methods.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dirichlet_bc_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ps_implicit_types.mod pw_grid_types.mod pw_types.mod dirichlet_bc_types.mod pw_pool_types.mod pw_poisson_types.mod mathconstants.mod rs_methods.mod kinds.mod cp_log_handling.mod base_hooks.mod pw_methods.mod mathlib.mod message_passing.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_methods.F dirichlet_bc_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dirichlet_bc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dirichlet_bc_methods.F90 /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_methods.F:899:13: 899 | IF (h .GT. MINVAL((/Lx, Lz/))) THEN @@ -4013,13 +4022,90 @@ 814 | REAL(dp) :: cntrlaxis_lb, cntrlaxis_ub, h, Lx, Ly, & | ^ note: 'h' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dirichlet_bc_methods.mod' due to: dirichlet_bc_methods.o /build/reproducible-path/cp2k-8.1/src/pw/dirichlet_bc_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod ps_implicit_types.mod dirichlet_bc_types.mod pw_types.mod pw_poisson_types.mod kinds.mod message_passing.mod physcon.mod pw_methods.mod cp_log_handling.mod base_hooks.mod mathconstants.mod rs_methods.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'realspace_grid_cube.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_cube.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' realspace_grid_cube.F90 +/build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_cube.F:771:65: + + 771 | IF (MODULO(counter, num_entries_line) == 0 .OR. k == last_z) & + | ^ +Warning: 'last_z' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_cube.F:642:97: + + 642 | INTEGER :: counter, gid, i, islice, j, k, last_z, & + | ^ +note: 'last_z' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dg_rho0_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dg_rho0_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_poisson_types.mod kinds.mod base_hooks.mod pw_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dg_rho0_types.F dg_rho0_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dg_rho0_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dg_rho0_types.mod' due to: dg_rho0_types.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dg_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dg_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dg_rho0_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dg_types.F dg_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dg_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_spline_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_spline_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_pool_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod pw_methods.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_spline_utils.F pw_spline_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_spline_utils.F90 +/build/reproducible-path/cp2k-8.1/src/pw/pw_spline_utils.F:2620:38: + + 2620 | SUBROUTINE pw_spline_precond_retain(preconditioner) + | ^ +Warning: 'pw_spline_precond_retain' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/pw/pw_spline_utils.F:953:87: + + 953 | weights(i, j, k) = REAL(idirVal, dp)*coeffs(ABS(i) + ABS(j) + ABS(k)) + | ^ +Warning: 'idirval' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'structure_factors.mod' due to: structure_factors.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dgs.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dgs.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod realspace_grid_types.mod fft_tools.mod pw_grids.mod pw_grid_info.mod kinds.mod base_hooks.mod mathlib.mod structure_factors.mod fast.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dgs.F dgs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dgs.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_fft3d.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_fft3d.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_fft3d.F ps_wavelet_fft3d.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:03:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_fft3d.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_fft3d.mod' due to: ps_wavelet_fft3d.o /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_fft3d.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_base.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_base.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 message_passing.mod kinds.mod base_hooks.mod ps_wavelet_fft3d.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_base.F ps_wavelet_base.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_base.F90 +/build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_base.F:2103:31: + + 2103 | SUBROUTINE F_unfill_downcorn(md1, md3, lot, nfft, n3, zw, zf, scal, ehartreetmp) + | ^ +Warning: 'f_unfill_downcorn' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_base.mod' due to: ps_wavelet_base.o /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_base.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 message_passing.mod kinds.mod base_hooks.mod ps_wavelet_fft3d.mod true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_util.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod ps_wavelet_base.mod kinds.mod base_hooks.mod ps_wavelet_fft3d.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_util.F ps_wavelet_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_util.F90 +/build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_util.F:155:58: + + 155 | DO i2 = istart + 1, MIN(nlim, istart + md2/nproc) + | ^ +Warning: 'nlim' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_util.mod' due to: ps_wavelet_util.o /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod ps_wavelet_base.mod kinds.mod base_hooks.mod ps_wavelet_fft3d.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_scaling_function.mod' due to: ps_wavelet_scaling_function.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_kernel.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_kernel.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ps_wavelet_base.mod kinds.mod base_hooks.mod ps_wavelet_util.mod message_passing.mod ps_wavelet_scaling_function.mod ps_wavelet_fft3d.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_kernel.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dielectric_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dielectric_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_pool_types.mod dielectric_types.mod realspace_grid_types.mod mathconstants.mod rs_methods.mod dct.mod kinds.mod base_hooks.mod pw_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dielectric_methods.F dielectric_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dielectric_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_kernel.mod' due to: ps_wavelet_kernel.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod ps_wavelet_types.mod pw_poisson_types.mod ps_wavelet_kernel.mod kinds.mod base_hooks.mod ps_wavelet_util.mod bibliography.mod message_passing.mod util.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_methods.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dielectric_methods.mod' due to: dielectric_methods.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_implicit_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod ps_implicit_types.mod dirichlet_bc_types.mod dielectric_types.mod pw_types.mod pw_poisson_types.mod kinds.mod bibliography.mod kahan_sum.mod message_passing.mod dirichlet_bc_methods.mod cp_log_handling.mod pw_methods.mod dct.mod base_hooks.mod mathconstants.mod dielectric_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dirichlet_bc_methods.mod' due to: dirichlet_bc_methods.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_implicit_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ps_implicit_types.mod pw_grid_types.mod pw_types.mod dirichlet_bc_types.mod pw_pool_types.mod dielectric_types.mod pw_poisson_types.mod mathconstants.mod dielectric_methods.mod dct.mod kinds.mod cp_log_handling.mod base_hooks.mod pw_methods.mod kahan_sum.mod bibliography.mod message_passing.mod dirichlet_bc_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_methods.F ps_implicit_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ps_implicit_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_implicit_methods.F90 /build/reproducible-path/cp2k-8.1/src/pw/ps_implicit_methods.F:1199:87: 1199 | CALL pw_scale(pw_in, 1.0_dp/(vol_scfac*tile_volume)) ! normalize tile_pw @@ -4035,97 +4121,46 @@ 433 | ps_implicit_env%ehartree = ehartree/vol_scfac | ^ Warning: 'vol_scfac' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'structure_factors.mod' due to: structure_factors.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dgs.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dgs.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod realspace_grid_types.mod pw_types.mod kinds.mod pw_grids.mod pw_grid_info.mod fast.mod fft_tools.mod base_hooks.mod structure_factors.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dgs.F dgs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dgs.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_util.mod' due to: ps_wavelet_util.o -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_scaling_function.mod' due to: ps_wavelet_scaling_function.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_kernel.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_kernel.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod message_passing.mod ps_wavelet_util.mod ps_wavelet_scaling_function.mod base_hooks.mod ps_wavelet_fft3d.mod ps_wavelet_base.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ps_wavelet_kernel.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_kernel.mod' due to: ps_wavelet_kernel.o /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_kernel.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod message_passing.mod ps_wavelet_util.mod ps_wavelet_scaling_function.mod base_hooks.mod ps_wavelet_fft3d.mod ps_wavelet_base.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ps_wavelet_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_poisson_types.mod ps_wavelet_types.mod kinds.mod bibliography.mod util.mod message_passing.mod ps_wavelet_util.mod base_hooks.mod ps_wavelet_kernel.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ps_wavelet_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_methods.mod' due to: ps_wavelet_methods.o /build/reproducible-path/cp2k-8.1/src/pw/ps_wavelet_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_poisson_types.mod ps_wavelet_types.mod kinds.mod bibliography.mod util.mod message_passing.mod ps_wavelet_util.mod base_hooks.mod ps_wavelet_kernel.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_wavelet_methods.mod' due to: ps_wavelet_methods.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ps_implicit_methods.mod' due to: ps_implicit_methods.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_poisson_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod ps_implicit_types.mod pw_types.mod ps_wavelet_types.mod pw_poisson_types.mod kinds.mod pw_grids.mod ps_wavelet_methods.mod pw_methods.mod cp_log_handling.mod mt_util.mod base_hooks.mod mathconstants.mod dielectric_methods.mod ps_implicit_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_poisson_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ps_implicit_types.mod pw_grid_types.mod pw_types.mod pw_pool_types.mod ps_wavelet_types.mod pw_poisson_types.mod mathconstants.mod dielectric_methods.mod ps_wavelet_methods.mod pw_grids.mod kinds.mod cp_log_handling.mod base_hooks.mod pw_methods.mod mt_util.mod ps_implicit_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_poisson_methods.F pw_poisson_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_poisson_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dg_rho0_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dg_rho0_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_poisson_types.mod kinds.mod pw_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dg_rho0_types.F dg_rho0_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dg_rho0_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dg_rho0_types.mod' due to: dg_rho0_types.o /build/reproducible-path/cp2k-8.1/src/pw/dg_rho0_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_poisson_types.mod kinds.mod pw_methods.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dg_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/dg_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dg_rho0_types.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/dg_types.F dg_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dg_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_spline_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/pw_spline_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_types.mod kinds.mod message_passing.mod pw_methods.mod cp_log_handling.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/pw_spline_utils.F pw_spline_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_spline_utils.F90 -/build/reproducible-path/cp2k-8.1/src/pw/pw_spline_utils.F:2620:38: - - 2620 | SUBROUTINE pw_spline_precond_retain(preconditioner) - | ^ -Warning: 'pw_spline_precond_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/pw/pw_spline_utils.F:953:87: - - 953 | weights(i, j, k) = REAL(idirVal, dp)*coeffs(ABS(i) + ABS(j) + ABS(k)) - | ^ -Warning: 'idirval' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'realspace_grid_cube.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_cube.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod kinds.mod cp_files.mod message_passing.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' realspace_grid_cube.F90 -/build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_cube.F:771:65: - - 771 | IF (MODULO(counter, num_entries_line) == 0 .OR. k == last_z) & - | ^ -Warning: 'last_z' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/pw/realspace_grid_cube.F:642:97: - - 642 | INTEGER :: counter, gid, i, islice, j, k, last_z, & - | ^ -note: 'last_z' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a' due to: pw_grids.o dielectric_types.o lazy.o pw_methods.o cube_utils.o ps_wavelet_scaling_function.o rs_methods.o dirichlet_bc_types.o ps_implicit_types.o ps_wavelet_types.o pw_fpga.o dielectric_methods.o ps_wavelet_util.o fast.o ps_wavelet_base.o pw_cuda.o pw_grid_info.o mt_util.o ps_implicit_methods.o dgs.o dct.o pw_poisson_methods.o dirichlet_bc_methods.o pw_grid_types.o dg_types.o pw_spline_utils.o fft_tools.o realspace_grid_cube.o dg_rho0_types.o realspace_grid_types.o ps_wavelet_methods.o cp_linked_list_pw.o pw_pool_types.o ps_wavelet_kernel.o ps_wavelet_fft3d.o pw_types.o pw_poisson_types.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a pw_grids.o dielectric_types.o lazy.o pw_methods.o cube_utils.o ps_wavelet_scaling_function.o rs_methods.o dirichlet_bc_types.o ps_implicit_types.o ps_wavelet_types.o pw_fpga.o dielectric_methods.o ps_wavelet_util.o fast.o ps_wavelet_base.o pw_cuda.o pw_grid_info.o mt_util.o ps_implicit_methods.o dgs.o dct.o pw_poisson_methods.o dirichlet_bc_methods.o pw_grid_types.o dg_types.o pw_spline_utils.o fft_tools.o realspace_grid_cube.o dg_rho0_types.o realspace_grid_types.o ps_wavelet_methods.o cp_linked_list_pw.o pw_pool_types.o ps_wavelet_kernel.o ps_wavelet_fft3d.o pw_types.o pw_poisson_types.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a' due to: fftw3_lib.o fftsg_lib.o fft_plan.o fft_lib.o mltfftsg_tools.o fft_kinds.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a fftw3_lib.o fftsg_lib.o fft_plan.o fft_lib.o mltfftsg_tools.o fft_kinds.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'fft_fpga.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fpga/fft_fpga.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/pw/fpga/opencl_utils.h /build/reproducible-path/cp2k-8.1/src/pw/fpga/fft_fpga.h +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_poisson_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a' due to: pw_pool_types.o ps_wavelet_scaling_function.o pw_grids.o ps_wavelet_types.o dirichlet_bc_methods.o realspace_grid_cube.o dg_rho0_types.o dg_types.o lazy.o pw_poisson_types.o realspace_grid_types.o pw_spline_utils.o pw_grid_info.o dgs.o mt_util.o cp_linked_list_pw.o rs_methods.o ps_wavelet_kernel.o cube_utils.o fft_tools.o dielectric_methods.o ps_wavelet_util.o pw_methods.o dct.o dirichlet_bc_types.o ps_wavelet_methods.o fast.o pw_cuda.o dielectric_types.o ps_implicit_methods.o ps_wavelet_fft3d.o ps_implicit_types.o pw_grid_types.o pw_types.o ps_wavelet_base.o pw_poisson_methods.o pw_fpga.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a pw_pool_types.o ps_wavelet_scaling_function.o pw_grids.o ps_wavelet_types.o dirichlet_bc_methods.o realspace_grid_cube.o dg_rho0_types.o dg_types.o lazy.o pw_poisson_types.o realspace_grid_types.o pw_spline_utils.o pw_grid_info.o dgs.o mt_util.o cp_linked_list_pw.o rs_methods.o ps_wavelet_kernel.o cube_utils.o fft_tools.o dielectric_methods.o ps_wavelet_util.o pw_methods.o dct.o dirichlet_bc_types.o ps_wavelet_methods.o fast.o pw_cuda.o dielectric_types.o ps_implicit_methods.o ps_wavelet_fft3d.o ps_implicit_types.o pw_grid_types.o pw_types.o ps_wavelet_base.o pw_poisson_methods.o pw_fpga.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a' due to: fft_lib.o fft_kinds.o fftsg_lib.o fftw3_lib.o mltfftsg_tools.o fft_plan.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a fft_lib.o fft_kinds.o fftsg_lib.o fftw3_lib.o mltfftsg_tools.o fft_plan.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'fft_fpga.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fpga/fft_fpga.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/pw/fpga/fft_fpga.h /build/reproducible-path/cp2k-8.1/src/pw/fpga/opencl_utils.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/pw/fpga/fft_fpga.c -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'opencl_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fpga/opencl_utils.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'opencl_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/pw/fpga/opencl_utils.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/pw/fpga/opencl_utils.c -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a' due to: fft_fpga.o opencl_utils.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a fft_fpga.o opencl_utils.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a -/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/all.dep:143: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/grid_miniapp.psmp' due to: grid_miniapp.o /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/grid_miniapp.psmp grid_miniapp.o -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kcommon -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_unittest.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/grid_unittest.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a' due to: fft_fpga.o opencl_utils.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a fft_fpga.o opencl_utils.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a +/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:147: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/grid_miniapp.psmp' due to: grid_miniapp.o /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/grid_miniapp.psmp grid_miniapp.o -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kcommon -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'grid_unittest.o' due to: /build/reproducible-path/cp2k-8.1/src/grid/grid_unittest.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-8.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-8.1/src/grid/common/grid_sphere_cache.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/grid/grid_unittest.c -/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/all.dep:147: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/grid_unittest.psmp' due to: grid_unittest.o /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/grid_unittest.psmp grid_unittest.o -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kcommon -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'graph_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:151: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/grid_unittest.psmp' due to: grid_unittest.o /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/grid_unittest.psmp grid_unittest.o -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kcommon -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'graph_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_utils.F graph_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' graph_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' graph_utils.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'graph_utils.mod' due to: graph_utils.o /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'graph_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_files.mod string_utilities.mod graph_utils.mod periodic_table.mod memory_utilities.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'graph_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 graph_utils.mod periodic_table.mod memory_utilities.mod cp_files.mod kinds.mod string_utilities.mod base_hooks.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_methods.F graph_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' graph_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' graph_methods.F90 /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_methods.F:499:94: 499 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(yy0 - avg2)*(dyy - davg2) @@ -4141,11 +4176,11 @@ 174 | array(ind) = MINVAL(-fes(pnt:pnt + dimval - 1)) | ^ Warning: 'ind' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'graph_methods.mod' due to: graph_methods.o /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_files.mod string_utilities.mod graph_utils.mod periodic_table.mod memory_utilities.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'graph_methods.mod' due to: graph_methods.o /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 graph_utils.mod periodic_table.mod memory_utilities.mod cp_files.mod kinds.mod string_utilities.mod base_hooks.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'graph.o' due to: /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_files.mod graph_methods.mod graph_utils.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'graph.o' due to: /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 graph_utils.mod mathconstants.mod cp_files.mod kinds.mod base_hooks.mod graph_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph.F graph.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/reproducible-path/cp2k-8.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' graph.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/reproducible-path/cp2k-8.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' graph.F90 /build/reproducible-path/cp2k-8.1/src/metadyn_tools/graph.F:658:28: 658 | out3 = out2//"." @@ -4203,16 +4238,16 @@ 585 | j = MINLOC((i_map - i)**2, 1) | ^ Warning: 'i_map.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmetadyn_tools.a' due to: graph_utils.o graph_methods.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmetadyn_tools.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmetadyn_tools.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmetadyn_tools.a graph_utils.o graph_methods.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmetadyn_tools.a -/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/all.dep:127: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/graph.psmp' due to: graph.o /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmetadyn_tools.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/graph.psmp graph.o -lcp2kmetadyn_tools -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dumpdcd.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/dumpdcd.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a' due to: graph_utils.o graph_methods.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a graph_utils.o graph_methods.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a +/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:127: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/graph.psmp' due to: graph.o /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/graph.psmp graph.o -lcp2kmetadyn_tools -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dumpdcd.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/dumpdcd.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/dumpdcd.F dumpdcd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:55:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dumpdcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dumpdcd.F90 /build/reproducible-path/cp2k-8.1/src/motion/dumpdcd.F:972:36: 972 | SUBROUTINE pbc(r, r_pbc, s, s_pbc, a, b, c, alpha, beta, gamma, debug, info, pbc0, h, hinv) @@ -4252,219 +4287,129 @@ 667 | WRITE (UNIT=output_unit) REAL(atomic_displacement(:), KIND=sp) | ^ Warning: 'atomic_displacement.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'simpar_types.o' due to: /build/reproducible-path/cp2k-8.1/src/simpar_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_subsys_types.mod' due to: cp_subsys_types.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'simpar_types.o' due to: /build/reproducible-path/cp2k-8.1/src/simpar_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/simpar_types.F simpar_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' simpar_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' simpar_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'simpar_types.mod' due to: simpar_types.o /build/reproducible-path/cp2k-8.1/src/simpar_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_constants.o' due to: /build/reproducible-path/cp2k-8.1/src/input_constants.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_constants.F input_constants.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_constants.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_constants.mod' due to: input_constants.o /build/reproducible-path/cp2k-8.1/src/input_constants.F kinds.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'extended_system_types.o' due to: /build/reproducible-path/cp2k-8.1/src/extended_system_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod bibliography.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/extended_system_types.F extended_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' extended_system_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'extended_system_types.mod' due to: extended_system_types.o /build/reproducible-path/cp2k-8.1/src/extended_system_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod bibliography.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gle_system_types.o' due to: /build/reproducible-path/cp2k-8.1/src/gle_system_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod extended_system_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/gle_system_types.F gle_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' gle_system_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gle_system_types.mod' due to: gle_system_types.o /build/reproducible-path/cp2k-8.1/src/gle_system_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod extended_system_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'distribution_2d_types.o' due to: /build/reproducible-path/cp2k-8.1/src/distribution_2d_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_array_utils.mod cp_blacs_env.mod cp_log_handling.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/distribution_2d_types.F distribution_2d_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' distribution_2d_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'distribution_2d_types.mod' due to: distribution_2d_types.o /build/reproducible-path/cp2k-8.1/src/distribution_2d_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_array_utils.mod cp_blacs_env.mod cp_log_handling.mod base_hooks.mod machine.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_operations.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_operations.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod mathlib.mod kinds.mod cp_blacs_env.mod cp_fm_struct.mod base_hooks.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_dbcsr_operations.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_operations.mod' due to: cp_dbcsr_operations.o /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_operations.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod mathlib.mod kinds.mod cp_blacs_env.mod cp_fm_struct.mod base_hooks.mod cp_fm_basic_linalg.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kpoint_transitional.o' due to: /build/reproducible-path/cp2k-8.1/src/kpoint_transitional.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kpoint_transitional.F kpoint_transitional.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kpoint_transitional.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kpoint_transitional.mod' due to: kpoint_transitional.o /build/reproducible-path/cp2k-8.1/src/kpoint_transitional.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod kpoint_transitional.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho_types.F qs_rho_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_rho_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho_types.mod' due to: qs_rho_types.o /build/reproducible-path/cp2k-8.1/src/qs_rho_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod kpoint_transitional.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_wf_history_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_wf_history_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cp_fm_types.mod qs_rho_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_wf_history_types.F qs_wf_history_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_wf_history_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_wf_history_types.mod' due to: qs_wf_history_types.o /build/reproducible-path/cp2k-8.1/src/qs_wf_history_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cp_fm_types.mod qs_rho_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_subsys_types.mod' due to: cp_subsys_types.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'nnp_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/nnp_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod particle_list_types.mod virial_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_list_types.mod cell_types.mod distribution_1d_types.mod molecule_types.mod molecule_list_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/nnp_environment_types.F nnp_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' nnp_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'nnp_environment_types.mod' due to: nnp_environment_types.o /build/reproducible-path/cp2k-8.1/src/nnp_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod particle_list_types.mod virial_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_list_types.mod cell_types.mod distribution_1d_types.mod molecule_types.mod molecule_list_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'global_types.o' due to: /build/reproducible-path/cp2k-8.1/src/global_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod kinds.mod base_hooks.mod cp_blacs_env.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/global_types.F global_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' global_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'global_types.mod' due to: global_types.o /build/reproducible-path/cp2k-8.1/src/global_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod kinds.mod base_hooks.mod cp_blacs_env.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy_types.F qs_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_energy_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy_types.mod' due to: qs_energy_types.o /build/reproducible-path/cp2k-8.1/src/qs_energy_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'exclusion_types.o' due to: /build/reproducible-path/cp2k-8.1/src/exclusion_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/exclusion_types.F exclusion_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' exclusion_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'exclusion_types.mod' due to: exclusion_types.o /build/reproducible-path/cp2k-8.1/src/exclusion_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_energy_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_energy_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_energy_types.F mixed_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mixed_energy_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_energy_types.mod' due to: mixed_energy_types.o /build/reproducible-path/cp2k-8.1/src/mixed_energy_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_neighbor_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod cell_types.mod memory_utilities.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_neighbor_list_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_neighbor_list_types.mod' due to: fist_neighbor_list_types.o /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod cell_types.mod memory_utilities.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_neighbor_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F qs_neighbor_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_neighbor_list_types.F90 -/build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F:334:28: - - 334 | iterator%nnode = nnode - | ^ -Warning: 'nnode' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F:339:45: - - 339 | iterator%neighbor_list => neighbor_list - | ^ -Warning: 'neighbor_list' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F:332:28: - - 332 | iterator%nlist = nlist - | ^ -Warning: 'nlist' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F:331:28: - - 331 | iterator%ilist = ilist - | ^ -Warning: 'ilist' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F:227:61: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'splines_types.o' due to: /build/reproducible-path/cp2k-8.1/src/splines_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/splines_types.F splines_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' splines_types.F90 +/build/reproducible-path/cp2k-8.1/src/splines_types.F:193:31: - 227 | list_search(il)%atom_list(ilist) = iatom - | ^ -Warning: 'iatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_neighbor_list_types.mod' due to: qs_neighbor_list_types.o /build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_o3c_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_o3c_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod basis_set_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_o3c_types.F qs_o3c_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_o3c_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_o3c_types.mod' due to: qs_o3c_types.o /build/reproducible-path/cp2k-8.1/src/qs_o3c_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod basis_set_types.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_neighbor_list_types.mod qs_o3c_types.mod basis_set_types.mod mathlib.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_environment_types.F lri_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lri_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_environment_types.mod' due to: lri_environment_types.o /build/reproducible-path/cp2k-8.1/src/lri_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_neighbor_list_types.mod qs_o3c_types.mod basis_set_types.mod mathlib.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'embed_types.o' due to: /build/reproducible-path/cp2k-8.1/src/embed_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod molecule_list_types.mod particle_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod cp_fm_types.mod molecule_types.mod cp_result_types.mod cp_subsys_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod kinds.mod base_hooks.mod cp_para_env.mod cp_log_handling.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/embed_types.F embed_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' embed_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'embed_types.mod' due to: embed_types.o /build/reproducible-path/cp2k-8.1/src/embed_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod molecule_list_types.mod particle_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod cp_fm_types.mod molecule_types.mod cp_result_types.mod cp_subsys_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod kinds.mod base_hooks.mod cp_para_env.mod cp_log_handling.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_energy_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_energy_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_energy_types.F fist_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_energy_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_energy_types.mod' due to: fist_energy_types.o /build/reproducible-path/cp2k-8.1/src/fist_energy_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'exclusion_types.o' due to: /build/reproducible-path/cp2k-8.1/src/exclusion_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/exclusion_types.F exclusion_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' exclusion_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'exclusion_types.mod' due to: exclusion_types.o /build/reproducible-path/cp2k-8.1/src/exclusion_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod + 193 | SUBROUTINE spline_env_retain(spline_env) + | ^ +Warning: 'spline_env_retain' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'splines_types.mod' due to: splines_types.o /build/reproducible-path/cp2k-8.1/src/splines_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_efield_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_efield_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_efield_types.F fist_efield_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_efield_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_efield_types.mod' due to: fist_efield_types.o /build/reproducible-path/cp2k-8.1/src/fist_efield_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pair_potential_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pair_potential_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod kinds.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pair_potential_types.F pair_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pair_potential_types.F90 +/build/reproducible-path/cp2k-8.1/src/pair_potential_types.F:838:12: + + 838 | DO i = loc_lb, loc_ub + | ^ +Warning: 'loc_lb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pair_potential_types.mod' due to: pair_potential_types.o /build/reproducible-path/cp2k-8.1/src/pair_potential_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod kinds.mod memory_utilities.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dg_types.mod' due to: dg_types.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_nonbond_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_nonbond_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fist_neighbor_list_types.mod atomic_kind_types.mod pair_potential_types.mod cell_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_nonbond_env_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_nonbond_env_types.mod' due to: fist_nonbond_env_types.o /build/reproducible-path/cp2k-8.1/src/fist_nonbond_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fist_neighbor_list_types.mod atomic_kind_types.mod pair_potential_types.mod cell_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_rsgrid.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_rsgrid.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod realspace_grid_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_rsgrid.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_rsgrid.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod realspace_grid_types.mod kinds.mod string_utilities.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_rsgrid.F input_cp2k_rsgrid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_rsgrid.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_rsgrid.mod' due to: input_cp2k_rsgrid.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_rsgrid.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod realspace_grid_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_rsgrid.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_rsgrid.mod' due to: input_cp2k_rsgrid.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_rsgrid.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod realspace_grid_types.mod kinds.mod string_utilities.mod base_hooks.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_spline_utils.mod' due to: pw_spline_utils.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_poisson.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_poisson.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ps_implicit_types.mod dielectric_types.mod input_section_types.mod dirichlet_bc_types.mod cell_types.mod input_val_types.mod input_keyword_types.mod multipole_types.mod pw_poisson_types.mod kinds.mod input_cp2k_rsgrid.mod string_utilities.mod dct.mod bibliography.mod cp_output_handling.mod base_hooks.mod input_constants.mod cp_units.mod pw_spline_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_constants.o' due to: /build/reproducible-path/cp2k-8.1/src/input_constants.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_constants.F input_constants.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_constants.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_constants.mod' due to: input_constants.o /build/reproducible-path/cp2k-8.1/src/input_constants.F kinds.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_poisson.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_poisson.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod ps_implicit_types.mod input_val_types.mod dirichlet_bc_types.mod input_keyword_types.mod dielectric_types.mod multipole_types.mod cell_types.mod dct.mod cp_units.mod input_cp2k_rsgrid.mod bibliography.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod pw_spline_utils.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_poisson.F input_cp2k_poisson.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_poisson.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_poisson.mod' due to: input_cp2k_poisson.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_poisson.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ps_implicit_types.mod dielectric_types.mod input_section_types.mod dirichlet_bc_types.mod cell_types.mod input_val_types.mod input_keyword_types.mod multipole_types.mod pw_poisson_types.mod kinds.mod input_cp2k_rsgrid.mod string_utilities.mod dct.mod bibliography.mod cp_output_handling.mod base_hooks.mod input_constants.mod cp_units.mod pw_spline_utils.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_poisson.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_poisson.mod' due to: input_cp2k_poisson.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_poisson.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod ps_implicit_types.mod input_val_types.mod dirichlet_bc_types.mod input_keyword_types.mod dielectric_types.mod multipole_types.mod cell_types.mod dct.mod cp_units.mod input_cp2k_rsgrid.mod bibliography.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod pw_spline_utils.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewald_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/ewald_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_para_types.mod pw_poisson_types.mod input_keyword_types.mod kinds.mod cp_para_env.mod cp_output_handling.mod cp_units.mod pw_grid_info.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_cp2k_poisson.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewald_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/ewald_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_para_types.mod input_keyword_types.mod pw_poisson_types.mod cp_para_env.mod cp_units.mod mathconstants.mod pw_grid_info.mod kinds.mod cp_log_handling.mod base_hooks.mod input_cp2k_poisson.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewald_environment_types.F ewald_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ewald_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewald_environment_types.mod' due to: ewald_environment_types.o /build/reproducible-path/cp2k-8.1/src/ewald_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_para_types.mod pw_poisson_types.mod input_keyword_types.mod kinds.mod cp_para_env.mod cp_output_handling.mod cp_units.mod pw_grid_info.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_cp2k_poisson.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewald_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewald_environment_types.mod' due to: ewald_environment_types.o /build/reproducible-path/cp2k-8.1/src/ewald_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_para_types.mod input_keyword_types.mod pw_poisson_types.mod cp_para_env.mod cp_units.mod mathconstants.mod pw_grid_info.mod kinds.mod cp_log_handling.mod base_hooks.mod input_cp2k_poisson.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_types.F qmmm_gaussian_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_types.mod' due to: qmmm_gaussian_types.o /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_field_types.o' due to: /build/reproducible-path/cp2k-8.1/src/force_field_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_field_kind_types.mod pair_potential_types.mod damping_dipole_types.mod shell_potential_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_field_types.F force_field_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_field_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_field_types.mod' due to: force_field_types.o /build/reproducible-path/cp2k-8.1/src/force_field_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_field_kind_types.mod pair_potential_types.mod damping_dipole_types.mod shell_potential_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dg_types.mod' due to: dg_types.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dgs.mod' due to: dgs.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_poisson_methods.mod' due to: pw_poisson_methods.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_poisson_read_input.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_poisson_read_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dirichlet_bc_types.mod cell_types.mod pw_poisson_types.mod ps_wavelet_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_poisson_read_input.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_poisson_read_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dirichlet_bc_types.mod ps_wavelet_types.mod pw_poisson_types.mod cell_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_poisson_read_input.F pw_poisson_read_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_poisson_read_input.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_poisson_read_input.mod' due to: pw_poisson_read_input.o /build/reproducible-path/cp2k-8.1/src/pw_poisson_read_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dirichlet_bc_types.mod cell_types.mod pw_poisson_types.mod ps_wavelet_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_poisson_read_input.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_poisson_read_input.mod' due to: pw_poisson_read_input.o /build/reproducible-path/cp2k-8.1/src/pw_poisson_read_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dirichlet_bc_types.mod ps_wavelet_types.mod pw_poisson_types.mod cell_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_realspace_grid_init.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_realspace_grid_init.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod realspace_grid_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_init.F cp_realspace_grid_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_realspace_grid_init.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_realspace_grid_init.mod' due to: cp_realspace_grid_init.o /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_realspace_grid_init.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_realspace_grid_init.mod' due to: cp_realspace_grid_init.o /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod realspace_grid_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewald_pw_types.o' due to: /build/reproducible-path/cp2k-8.1/src/ewald_pw_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod dg_types.mod input_section_types.mod cell_types.mod ewald_environment_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_poisson_types.mod kinds.mod ao_util.mod message_passing.mod cp_output_handling.mod base_hooks.mod mathconstants.mod dgs.mod pw_poisson_methods.mod cp_log_handling.mod pw_poisson_read_input.mod pw_grids.mod cp_realspace_grid_init.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewald_pw_types.o' due to: /build/reproducible-path/cp2k-8.1/src/ewald_pw_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod ewald_environment_types.mod pw_pool_types.mod realspace_grid_types.mod pw_grid_types.mod dg_types.mod cp_para_types.mod cell_types.mod dgs.mod pw_grids.mod cp_log_handling.mod ao_util.mod message_passing.mod pw_poisson_methods.mod pw_poisson_read_input.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod cp_realspace_grid_init.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewald_pw_types.F ewald_pw_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ewald_pw_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewald_pw_types.mod' due to: ewald_pw_types.o /build/reproducible-path/cp2k-8.1/src/ewald_pw_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod dg_types.mod input_section_types.mod cell_types.mod ewald_environment_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_poisson_types.mod kinds.mod ao_util.mod message_passing.mod cp_output_handling.mod base_hooks.mod mathconstants.mod dgs.mod pw_poisson_methods.mod cp_log_handling.mod pw_poisson_read_input.mod pw_grids.mod cp_realspace_grid_init.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_types.F qmmm_gaussian_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_gaussian_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_types.mod' due to: qmmm_gaussian_types.o /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'splines_types.o' due to: /build/reproducible-path/cp2k-8.1/src/splines_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/splines_types.F splines_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' splines_types.F90 -/build/reproducible-path/cp2k-8.1/src/splines_types.F:193:31: - - 193 | SUBROUTINE spline_env_retain(spline_env) - | ^ -Warning: 'spline_env_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'splines_types.mod' due to: splines_types.o /build/reproducible-path/cp2k-8.1/src/splines_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pair_potential_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pair_potential_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod kinds.mod base_hooks.mod memory_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pair_potential_types.F pair_potential_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pair_potential_types.F90 -/build/reproducible-path/cp2k-8.1/src/pair_potential_types.F:838:12: - - 838 | DO i = loc_lb, loc_ub - | ^ -Warning: 'loc_lb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pair_potential_types.mod' due to: pair_potential_types.o /build/reproducible-path/cp2k-8.1/src/pair_potential_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod kinds.mod base_hooks.mod memory_utilities.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewald_pw_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewald_pw_types.mod' due to: ewald_pw_types.o /build/reproducible-path/cp2k-8.1/src/ewald_pw_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod ewald_environment_types.mod pw_pool_types.mod realspace_grid_types.mod pw_grid_types.mod dg_types.mod cp_para_types.mod cell_types.mod dgs.mod pw_grids.mod cp_log_handling.mod ao_util.mod message_passing.mod pw_poisson_methods.mod pw_poisson_read_input.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod cp_realspace_grid_init.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_field_types.o' due to: /build/reproducible-path/cp2k-8.1/src/force_field_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 shell_potential_types.mod force_field_kind_types.mod damping_dipole_types.mod pair_potential_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_field_types.F force_field_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' force_field_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_field_types.mod' due to: force_field_types.o /build/reproducible-path/cp2k-8.1/src/force_field_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 shell_potential_types.mod force_field_kind_types.mod damping_dipole_types.mod pair_potential_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minimax_exp_k53.o' due to: /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k53.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k53.F minimax_exp_k53.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/reproducible-path/cp2k-8.1/src/minimax/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minimax_exp_k53.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minimax_exp_k53.mod' due to: minimax_exp_k53.o /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k53.F kinds.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minimax_exp_k15.o' due to: /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k15.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minimax_exp_k15.o' due to: /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k15.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k15.F minimax_exp_k15.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/reproducible-path/cp2k-8.1/src/minimax/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' minimax_exp_k15.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/reproducible-path/cp2k-8.1/src/minimax/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minimax_exp_k15.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minimax_exp_k15.mod' due to: minimax_exp_k15.o /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k15.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minimax_exp_k53.o' due to: /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k53.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k53.F minimax_exp_k53.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/reproducible-path/cp2k-8.1/src/minimax/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' minimax_exp_k53.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minimax_exp_k53.mod' due to: minimax_exp_k53.o /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_k53.F kinds.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minimax_exp.o' due to: /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_log_handling.mod minimax_exp_k15.mod base_hooks.mod minimax_exp_k53.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minimax_exp.o' due to: /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod minimax_exp_k53.mod cp_log_handling.mod base_hooks.mod minimax_exp_k15.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp.F minimax_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/minimax/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' minimax_exp.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minimax_exp.mod' due to: minimax_exp.o /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_log_handling.mod minimax_exp_k15.mod base_hooks.mod minimax_exp_k53.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/minimax/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minimax_exp.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minimax_exp.mod' due to: minimax_exp.o /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod minimax_exp_k53.mod cp_log_handling.mod base_hooks.mod minimax_exp_k15.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_gaussian.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_gaussian.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod minimax_exp.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_gaussian.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_gaussian.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod minimax_exp.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eri_mme_gaussian.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_gaussian.mod' due to: eri_mme_gaussian.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_gaussian.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod minimax_exp.mod mathconstants.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_gaussian.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_gaussian.mod' due to: eri_mme_gaussian.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_gaussian.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod minimax_exp.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_lattice_summation.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_unroll.fypp kinds.mod ao_util.mod base_hooks.mod mathconstants.mod orbital_pointers.mod eri_mme_gaussian.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_lattice_summation.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_unroll.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod eri_mme_gaussian.mod kinds.mod base_hooks.mod ao_util.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:56:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eri_mme_lattice_summation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:04:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_lattice_summation.F90 /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F:1266:99: 1266 | nsum_3c_gspace_3d = NINT(ns_G1*ns_G2*(5*exp_w + ncoset(l)*ncoset(m)*ncoset(n)*4), KIND=int_8) @@ -4485,79 +4430,162 @@ 261 | REAL(KIND=dp) :: ns1_G1, ns1_G2, ns2_G, ns2_R, ns3_R1, & | ^ note: 'ns1_g1' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_lattice_summation.mod' due to: eri_mme_lattice_summation.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_unroll.fypp kinds.mod ao_util.mod base_hooks.mod mathconstants.mod orbital_pointers.mod eri_mme_gaussian.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_lattice_summation.mod' due to: eri_mme_lattice_summation.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_unroll.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod eri_mme_gaussian.mod kinds.mod base_hooks.mod ao_util.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_error_control.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_error_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod eri_mme_lattice_summation.mod ao_util.mod message_passing.mod base_hooks.mod mathconstants.mod eri_mme_gaussian.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_error_control.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_error_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod mathconstants.mod eri_mme_gaussian.mod eri_mme_lattice_summation.mod kinds.mod base_hooks.mod ao_util.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_error_control.F eri_mme_error_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eri_mme_error_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_error_control.F90 /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_error_control.F:357:40: 357 | zet_c = zet_b - gr*(zet_b - zet_a) | ^ Warning: 'zet_b' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_error_control.F:357:40: Warning: 'zet_a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_error_control.mod' due to: eri_mme_error_control.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_error_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod eri_mme_lattice_summation.mod ao_util.mod message_passing.mod base_hooks.mod mathconstants.mod eri_mme_gaussian.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_error_control.mod' due to: eri_mme_error_control.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_error_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod mathconstants.mod eri_mme_gaussian.mod eri_mme_lattice_summation.mod kinds.mod base_hooks.mod ao_util.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_util.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_util.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_util.F eri_mme_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eri_mme_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_util.mod' due to: eri_mme_util.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_util.mod' due to: eri_mme_util.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_types.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod eri_mme_error_control.mod base_hooks.mod orbital_pointers.mod eri_mme_util.mod mathlib.mod eri_mme_gaussian.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_types.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod eri_mme_gaussian.mod kinds.mod eri_mme_error_control.mod base_hooks.mod eri_mme_util.mod mathlib.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_types.F eri_mme_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eri_mme_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_types.mod' due to: eri_mme_types.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod eri_mme_error_control.mod base_hooks.mod orbital_pointers.mod eri_mme_util.mod mathlib.mod eri_mme_gaussian.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xtb_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xtb_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xtb_types.F xtb_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xtb_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xtb_types.mod' due to: xtb_types.o /build/reproducible-path/cp2k-8.1/src/xtb_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_types.mod' due to: eri_mme_types.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod eri_mme_gaussian.mod kinds.mod eri_mme_error_control.mod base_hooks.mod eri_mme_util.mod mathlib.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'basis_set_container_types.mod' due to: basis_set_container_types.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_neighbor_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F qs_neighbor_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_neighbor_list_types.F90 +/build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F:334:28: + + 334 | iterator%nnode = nnode + | ^ +Warning: 'nnode' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F:339:45: + + 339 | iterator%neighbor_list => neighbor_list + | ^ +Warning: 'neighbor_list' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F:332:28: + + 332 | iterator%nlist = nlist + | ^ +Warning: 'nlist' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F:331:28: + + 331 | iterator%ilist = ilist + | ^ +Warning: 'ilist' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F:227:61: + + 227 | list_search(il)%atom_list(ilist) = iatom + | ^ +Warning: 'iatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_neighbor_list_types.mod' due to: qs_neighbor_list_types.o /build/reproducible-path/cp2k-8.1/src/qs_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod util.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dispersion_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dispersion_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dispersion_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dispersion_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dispersion_types.F qs_dispersion_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dispersion_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dispersion_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dispersion_types.mod' due to: qs_dispersion_types.o /build/reproducible-path/cp2k-8.1/src/qs_dispersion_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hirshfeld_types.o' due to: /build/reproducible-path/cp2k-8.1/src/hirshfeld_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hirshfeld_types.F hirshfeld_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hirshfeld_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hirshfeld_types.mod' due to: hirshfeld_types.o /build/reproducible-path/cp2k-8.1/src/hirshfeld_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'taper_types.o' due to: /build/reproducible-path/cp2k-8.1/src/taper_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/taper_types.F taper_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' taper_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'taper_types.mod' due to: taper_types.o /build/reproducible-path/cp2k-8.1/src/taper_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_mpole_types.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_types.F semi_empirical_mpole_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_mpole_types.mod' due to: semi_empirical_mpole_types.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_expns3_types.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_types.F semi_empirical_expns3_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_expns3_types.mod' due to: semi_empirical_expns3_types.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_types.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod taper_types.mod dg_types.mod pw_pool_types.mod multipole_types.mod semi_empirical_mpole_types.mod semi_empirical_expns3_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_types.F semi_empirical_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_types.F90 +/build/reproducible-path/cp2k-8.1/src/semi_empirical_types.F:456:26: + + 456 | SUBROUTINE set_se_param(sep, name, typ, defined, z, zeff, natorb, eheat, & + | ^ +Warning: 'set_se_param' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_types.mod' due to: semi_empirical_types.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod taper_types.mod dg_types.mod pw_pool_types.mod multipole_types.mod semi_empirical_mpole_types.mod semi_empirical_expns3_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod physcon.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xtb_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xtb_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xtb_types.F xtb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xtb_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xtb_types.mod' due to: xtb_types.o /build/reproducible-path/cp2k-8.1/src/xtb_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_upf.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_upf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod periodic_table.mod kinds.mod base_hooks.mod cp_parser_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_upf.F atom_upf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_upf.F90 +/build/reproducible-path/cp2k-8.1/src/atom_upf.F:519:33: + + 519 | ALLOCATE (pot%rab(m)) + | ^ +Warning: 'm' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/atom_upf.F:447:69: + + 447 | INTEGER :: icount, m, mc, ms + | ^ +note: 'm' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_upf.mod' due to: atom_upf.o /build/reproducible-path/cp2k-8.1/src/atom_upf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod periodic_table.mod kinds.mod base_hooks.mod cp_parser_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_grid_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_grid_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod input_constants.mod lebedev.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_grid_atom.F qs_grid_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_grid_atom.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_grid_atom.mod' due to: qs_grid_atom.o /build/reproducible-path/cp2k-8.1/src/qs_grid_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod input_constants.mod lebedev.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_types.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod input_val_types.mod mathconstants.mod periodic_table.mod atom_upf.mod qs_grid_atom.mod kinds.mod string_utilities.mod bessel_lib.mod base_hooks.mod input_constants.mod cp_linked_list_input.mod cp_parser_methods.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_types.F atom_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_types.F90 +/build/reproducible-path/cp2k-8.1/src/atom_types.F:2905:56: + + 2905 | potential%npot(l) = potential%npot(l) + 1 + | ^ +Warning: 'l' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_types.mod' due to: atom_types.o /build/reproducible-path/cp2k-8.1/src/atom_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod input_val_types.mod mathconstants.mod periodic_table.mod atom_upf.mod qs_grid_atom.mod kinds.mod string_utilities.mod bessel_lib.mod base_hooks.mod input_constants.mod cp_linked_list_input.mod cp_parser_methods.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_cdft_opt_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_cdft_opt_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_cdft_opt_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_cdft_opt_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_cdft_opt_types.F qs_cdft_opt_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_cdft_opt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_cdft_opt_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_cdft_opt_types.mod' due to: qs_cdft_opt_types.o /build/reproducible-path/cp2k-8.1/src/qs_cdft_opt_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'outer_scf_control_types.o' due to: /build/reproducible-path/cp2k-8.1/src/outer_scf_control_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_cdft_opt_types.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'outer_scf_control_types.o' due to: /build/reproducible-path/cp2k-8.1/src/outer_scf_control_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_cdft_opt_types.mod kinds.mod base_hooks.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/outer_scf_control_types.F outer_scf_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' outer_scf_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' outer_scf_control_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'outer_scf_control_types.mod' due to: outer_scf_control_types.o /build/reproducible-path/cp2k-8.1/src/outer_scf_control_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_cdft_opt_types.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_cdft_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_cdft_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod hirshfeld_types.mod cp_fm_types.mod outer_scf_control_types.mod qs_cdft_opt_types.mod kinds.mod cp_array_utils.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hirshfeld_types.o' due to: /build/reproducible-path/cp2k-8.1/src/hirshfeld_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hirshfeld_types.F hirshfeld_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hirshfeld_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hirshfeld_types.mod' due to: hirshfeld_types.o /build/reproducible-path/cp2k-8.1/src/hirshfeld_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod input_constants.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_cdft_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_cdft_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod pw_types.mod qs_cdft_opt_types.mod outer_scf_control_types.mod hirshfeld_types.mod kinds.mod base_hooks.mod input_constants.mod cp_array_utils.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_cdft_types.F qs_cdft_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_cdft_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_cdft_types.F90 /build/reproducible-path/cp2k-8.1/src/qs_cdft_types.F:501:33: 501 | SUBROUTINE cdft_control_retain(cdft_control) | ^ Warning: 'cdft_control_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_cdft_types.mod' due to: qs_cdft_types.o /build/reproducible-path/cp2k-8.1/src/qs_cdft_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod hirshfeld_types.mod cp_fm_types.mod outer_scf_control_types.mod qs_cdft_opt_types.mod kinds.mod cp_array_utils.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_cdft_types.mod' due to: qs_cdft_types.o /build/reproducible-path/cp2k-8.1/src/qs_cdft_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod pw_types.mod qs_cdft_opt_types.mod outer_scf_control_types.mod hirshfeld_types.mod kinds.mod base_hooks.mod input_constants.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_control.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_control.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_control.F xas_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_control.F90 /build/reproducible-path/cp2k-8.1/src/xas_control.F:326:32: 326 | SUBROUTINE xas_control_retain(xas_control) | ^ Warning: 'xas_control_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_control.mod' due to: xas_control.o /build/reproducible-path/cp2k-8.1/src/xas_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_control.mod' due to: xas_control.o /build/reproducible-path/cp2k-8.1/src/xas_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_control_types.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_control_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_cdft_types.mod cp_fm_types.mod pair_potential_types.mod kinds.mod xas_control.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_control_types.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_control_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod pair_potential_types.mod qs_cdft_types.mod kinds.mod base_hooks.mod input_constants.mod xas_control.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_control_types.F cp_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_control_types.F90 /build/reproducible-path/cp2k-8.1/src/cp_control_types.F:654:37: 654 | SUBROUTINE mulliken_control_retain(mulliken_restraint_control) @@ -4573,82 +4601,92 @@ 770 | SUBROUTINE s2_control_retain(s2_restraint_control) | ^ Warning: 's2_control_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_control_types.mod' due to: cp_control_types.o /build/reproducible-path/cp2k-8.1/src/cp_control_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_cdft_types.mod cp_fm_types.mod pair_potential_types.mod kinds.mod xas_control.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_control_types.mod' due to: cp_control_types.o /build/reproducible-path/cp2k-8.1/src/cp_control_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod pair_potential_types.mod qs_cdft_types.mod kinds.mod base_hooks.mod input_constants.mod xas_control.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_upf.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_upf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod kinds.mod cp_parser_methods.mod periodic_table.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_upf.F atom_upf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_upf.F90 -/build/reproducible-path/cp2k-8.1/src/atom_upf.F:519:33: - - 519 | ALLOCATE (pot%rab(m)) - | ^ -Warning: 'm' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/atom_upf.F:447:69: - - 447 | INTEGER :: icount, m, mc, ms - | ^ -note: 'm' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_upf.mod' due to: atom_upf.o /build/reproducible-path/cp2k-8.1/src/atom_upf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod kinds.mod cp_parser_methods.mod periodic_table.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'paw_proj_set_types.o' due to: /build/reproducible-path/cp2k-8.1/src/paw_proj_set_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod cp_control_types.mod mathconstants.mod orbital_transformation_matrices.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod ao_util.mod mathlib.mod orbital_pointers.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/paw_proj_set_types.F paw_proj_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' paw_proj_set_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'paw_proj_set_types.mod' due to: paw_proj_set_types.o /build/reproducible-path/cp2k-8.1/src/paw_proj_set_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod cp_control_types.mod mathconstants.mod orbital_transformation_matrices.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod ao_util.mod mathlib.mod orbital_pointers.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_grid_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_grid_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod lebedev.mod memory_utilities.mod base_hooks.mod mathconstants.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_grid_atom.F qs_grid_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_grid_atom.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_grid_atom.mod' due to: qs_grid_atom.o /build/reproducible-path/cp2k-8.1/src/qs_grid_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod lebedev.mod memory_utilities.mod base_hooks.mod mathconstants.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'basis_set_container_types.mod' due to: basis_set_container_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_types.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod input_val_types.mod atom_upf.mod cp_linked_list_input.mod bibliography.mod kinds.mod cp_parser_methods.mod bessel_lib.mod string_utilities.mod periodic_table.mod base_hooks.mod mathconstants.mod qs_grid_atom.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_types.F atom_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_types.F90 -/build/reproducible-path/cp2k-8.1/src/atom_types.F:2905:56: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_types.F qs_dftb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_types.mod' due to: qs_dftb_types.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xtb_parameters.o' due to: /build/reproducible-path/cp2k-8.1/src/xtb_parameters.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod xtb_types.mod cp_control_types.mod cp_para_types.mod cp_parser_types.mod input_val_types.mod periodic_table.mod kinds.mod string_utilities.mod base_hooks.mod cp_linked_list_input.mod cp_parser_methods.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xtb_parameters.F xtb_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:10:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xtb_parameters.F90 +/build/reproducible-path/cp2k-8.1/src/xtb_parameters.F:206:21: - 2905 | potential%npot(l) = potential%npot(l) + 1 - | ^ -Warning: 'l' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_types.mod' due to: atom_types.o /build/reproducible-path/cp2k-8.1/src/atom_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod input_val_types.mod atom_upf.mod cp_linked_list_input.mod bibliography.mod kinds.mod cp_parser_methods.mod bessel_lib.mod string_utilities.mod periodic_table.mod base_hooks.mod mathconstants.mod qs_grid_atom.mod input_constants.mod + 206 | enam = aname + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xtb_parameters.mod' due to: xtb_parameters.o /build/reproducible-path/cp2k-8.1/src/xtb_parameters.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod xtb_types.mod cp_control_types.mod cp_para_types.mod cp_parser_types.mod input_val_types.mod periodic_table.mod kinds.mod string_utilities.mod base_hooks.mod cp_linked_list_input.mod cp_parser_methods.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_expns3_types.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_types.F semi_empirical_expns3_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_expns3_types.mod' due to: semi_empirical_expns3_types.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_arrays.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_arrays.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_arrays.F semi_empirical_int_arrays.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:11:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_arrays.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_arrays.mod' due to: semi_empirical_int_arrays.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_arrays.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_mpole_types.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_types.F semi_empirical_mpole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_mpole_types.mod' due to: semi_empirical_mpole_types.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_par_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod mathconstants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod mathlib.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F semi_empirical_par_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:11:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_par_utils.F90 +/build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F:985:10: + + 985 | IF (f1 >= f2) THEN + | ^ +Warning: 'f2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F:985:10: Warning: 'f1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F:282:28: + + 282 | END FUNCTION get_se_basis + | ^ +Warning: 'n' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F:254:42: + + 254 | FUNCTION get_se_basis(sep, l) RESULT(n) + | ^ +note: 'n' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_par_utils.mod' due to: semi_empirical_par_utils.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod mathconstants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod mathlib.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'taper_types.o' due to: /build/reproducible-path/cp2k-8.1/src/taper_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/taper_types.F taper_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' taper_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'taper_types.mod' due to: taper_types.o /build/reproducible-path/cp2k-8.1/src/taper_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_mpole_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_mpole_types.mod kinds.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod semi_empirical_par_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:11:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_mpole_methods.mod' due to: semi_empirical_mpole_methods.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_mpole_types.mod kinds.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod semi_empirical_par_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_types.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 multipole_types.mod pw_pool_types.mod input_section_types.mod semi_empirical_expns3_types.mod dg_types.mod semi_empirical_mpole_types.mod taper_types.mod basis_set_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_types.F semi_empirical_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_types.F90 -/build/reproducible-path/cp2k-8.1/src/semi_empirical_types.F:456:26: - - 456 | SUBROUTINE set_se_param(sep, name, typ, defined, z, zeff, natorb, eheat, & - | ^ -Warning: 'set_se_param' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_types.mod' due to: semi_empirical_types.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 multipole_types.mod pw_pool_types.mod input_section_types.mod semi_empirical_expns3_types.mod dg_types.mod semi_empirical_mpole_types.mod taper_types.mod basis_set_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_parameters.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_parameters.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod periodic_table.mod kinds.mod base_hooks.mod input_constants.mod physcon.mod semi_empirical_par_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_parameters.F semi_empirical_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:11:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_parameters.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_parameters.mod' due to: semi_empirical_parameters.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_parameters.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod periodic_table.mod kinds.mod base_hooks.mod input_constants.mod physcon.mod semi_empirical_par_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_types.F qs_dftb_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dftb_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_types.mod' due to: qs_dftb_types.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod semi_empirical_types.mod cp_control_types.mod cell_types.mod semi_empirical_mpole_methods.mod kinds.mod semi_empirical_parameters.mod base_hooks.mod input_constants.mod semi_empirical_par_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_utils.F semi_empirical_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:11:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_utils.mod' due to: semi_empirical_utils.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod semi_empirical_types.mod cp_control_types.mod cell_types.mod semi_empirical_mpole_methods.mod kinds.mod semi_empirical_parameters.mod base_hooks.mod input_constants.mod semi_empirical_par_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'paw_proj_set_types.o' due to: /build/reproducible-path/cp2k-8.1/src/paw_proj_set_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod basis_set_types.mod kinds.mod ao_util.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod orbital_transformation_matrices.mod base_hooks.mod mathconstants.mod orbital_pointers.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/paw_proj_set_types.F paw_proj_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' paw_proj_set_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'paw_proj_set_types.mod' due to: paw_proj_set_types.o /build/reproducible-path/cp2k-8.1/src/paw_proj_set_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod basis_set_types.mod kinds.mod ao_util.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod orbital_transformation_matrices.mod base_hooks.mod mathconstants.mod orbital_pointers.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'soft_basis_set.mod' due to: soft_basis_set.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_onecenter.mod' due to: ai_onecenter.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_dftb_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_utils.F qs_dftb_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:11:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_utils.mod' due to: qs_dftb_utils.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_dftb_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_harmonics_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_harmonics_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_transformation_matrices.mod memory_utilities.mod kinds.mod base_hooks.mod lebedev.mod orbital_pointers.mod spherical_harmonics.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_harmonics_atom.F qs_harmonics_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:11:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_harmonics_atom.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_harmonics_atom.mod' due to: qs_harmonics_atom.o /build/reproducible-path/cp2k-8.1/src/qs_harmonics_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_transformation_matrices.mod memory_utilities.mod kinds.mod base_hooks.mod lebedev.mod orbital_pointers.mod spherical_harmonics.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'powell.mod' due to: powell.o true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_onecenter.mod' due to: ai_onecenter.o +true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'splines.mod' due to: splines.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atom_types.mod basis_set_types.mod ai_onecenter.mod kinds.mod ao_util.mod string_utilities.mod orbital_transformation_matrices.mod orbital_pointers.mod ai_overlap.mod cp_files.mod base_hooks.mod mathconstants.mod lapack.mod physcon.mod input_constants.mod kahan_sum.mod periodic_table.mod qs_grid_atom.mod mathlib.mod splines.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atom_types.mod ao_util.mod ai_onecenter.mod ai_overlap.mod qs_grid_atom.mod kahan_sum.mod mathlib.mod orbital_pointers.mod mathconstants.mod periodic_table.mod kinds.mod base_hooks.mod physcon.mod orbital_transformation_matrices.mod cp_files.mod string_utilities.mod input_constants.mod lapack.mod splines.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_utils.F atom_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:11:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_utils.F90 /build/reproducible-path/cp2k-8.1/src/atom_utils.F:983:3: 983 | FUNCTION prune_grid(fun, deps) RESULT(nc) @@ -4669,11 +4707,11 @@ 2268 | IF (spinpol) THEN | ^ Warning: 'spinpol' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_utils.mod' due to: atom_utils.o /build/reproducible-path/cp2k-8.1/src/atom_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atom_types.mod basis_set_types.mod ai_onecenter.mod kinds.mod ao_util.mod string_utilities.mod orbital_transformation_matrices.mod orbital_pointers.mod ai_overlap.mod cp_files.mod base_hooks.mod mathconstants.mod lapack.mod physcon.mod input_constants.mod kahan_sum.mod periodic_table.mod qs_grid_atom.mod mathlib.mod splines.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_utils.mod' due to: atom_utils.o /build/reproducible-path/cp2k-8.1/src/atom_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atom_types.mod ao_util.mod ai_onecenter.mod ai_overlap.mod qs_grid_atom.mod kahan_sum.mod mathlib.mod orbital_pointers.mod mathconstants.mod periodic_table.mod kinds.mod base_hooks.mod physcon.mod orbital_transformation_matrices.mod cp_files.mod string_utilities.mod input_constants.mod lapack.mod splines.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_sgp.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_sgp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod ai_onecenter.mod atom_upf.mod kinds.mod kahan_sum.mod powell.mod base_hooks.mod atom_utils.mod mathconstants.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_sgp.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_sgp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod mathconstants.mod powell.mod atom_upf.mod kinds.mod base_hooks.mod input_constants.mod ai_onecenter.mod kahan_sum.mod mathlib.mod atom_utils.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_sgp.F atom_sgp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_sgp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:11:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_sgp.F90 /build/reproducible-path/cp2k-8.1/src/atom_sgp.F:544:13: 544 | IF (nl_trans) THEN @@ -4704,79 +4742,16 @@ 162 | error(3) = errcc | ^ Warning: 'errcc' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_sgp.mod' due to: atom_sgp.o /build/reproducible-path/cp2k-8.1/src/atom_sgp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod ai_onecenter.mod atom_upf.mod kinds.mod kahan_sum.mod powell.mod base_hooks.mod atom_utils.mod mathconstants.mod input_constants.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_harmonics_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_harmonics_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod lebedev.mod orbital_transformation_matrices.mod memory_utilities.mod base_hooks.mod orbital_pointers.mod spherical_harmonics.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_harmonics_atom.F qs_harmonics_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_harmonics_atom.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_harmonics_atom.mod' due to: qs_harmonics_atom.o /build/reproducible-path/cp2k-8.1/src/qs_harmonics_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod lebedev.mod orbital_transformation_matrices.mod memory_utilities.mod base_hooks.mod orbital_pointers.mod spherical_harmonics.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_arrays.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_arrays.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_arrays.F semi_empirical_int_arrays.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_int_arrays.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_arrays.mod' due to: semi_empirical_int_arrays.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_arrays.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_par_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod physcon.mod base_hooks.mod mathconstants.mod semi_empirical_int_arrays.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F semi_empirical_par_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:55 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_par_utils.F90 -/build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F:985:10: - - 985 | IF (f1 >= f2) THEN - | ^ -Warning: 'f2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F:985:10: Warning: 'f1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F:282:28: - - 282 | END FUNCTION get_se_basis - | ^ -Warning: 'n' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F:254:42: - - 254 | FUNCTION get_se_basis(sep, l) RESULT(n) - | ^ -note: 'n' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_par_utils.mod' due to: semi_empirical_par_utils.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_par_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod physcon.mod base_hooks.mod mathconstants.mod semi_empirical_int_arrays.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_mpole_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_mpole_types.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod semi_empirical_par_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_mpole_methods.mod' due to: semi_empirical_mpole_methods.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_mpole_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_mpole_types.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod semi_empirical_par_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_sgp.mod' due to: atom_sgp.o /build/reproducible-path/cp2k-8.1/src/atom_sgp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod mathconstants.mod powell.mod atom_upf.mod kinds.mod base_hooks.mod input_constants.mod ai_onecenter.mod kahan_sum.mod mathlib.mod atom_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_parameters.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_parameters.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod physcon.mod periodic_table.mod base_hooks.mod input_constants.mod semi_empirical_par_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_parameters.F semi_empirical_parameters.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 10:59:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_parameters.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_parameters.mod' due to: semi_empirical_parameters.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_parameters.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod physcon.mod periodic_table.mod base_hooks.mod input_constants.mod semi_empirical_par_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod semi_empirical_types.mod cp_control_types.mod cell_types.mod basis_set_types.mod kinds.mod base_hooks.mod semi_empirical_mpole_methods.mod input_constants.mod semi_empirical_parameters.mod semi_empirical_par_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_utils.F semi_empirical_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_utils.mod' due to: semi_empirical_utils.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod semi_empirical_types.mod cp_control_types.mod cell_types.mod basis_set_types.mod kinds.mod base_hooks.mod semi_empirical_mpole_methods.mod input_constants.mod semi_empirical_parameters.mod semi_empirical_par_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_dftb_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_utils.F qs_dftb_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dftb_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_utils.mod' due to: qs_dftb_utils.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_dftb_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'soft_basis_set.mod' due to: soft_basis_set.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xtb_parameters.o' due to: /build/reproducible-path/cp2k-8.1/src/xtb_parameters.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod xtb_types.mod cp_para_types.mod cp_control_types.mod input_val_types.mod basis_set_types.mod cp_linked_list_input.mod kinds.mod cp_parser_methods.mod string_utilities.mod periodic_table.mod base_hooks.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xtb_parameters.F xtb_parameters.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xtb_parameters.F90 -/build/reproducible-path/cp2k-8.1/src/xtb_parameters.F:206:21: - - 206 | enam = aname - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xtb_parameters.mod' due to: xtb_parameters.o /build/reproducible-path/cp2k-8.1/src/xtb_parameters.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod xtb_types.mod cp_para_types.mod cp_control_types.mod input_val_types.mod basis_set_types.mod cp_linked_list_input.mod kinds.mod cp_parser_methods.mod string_utilities.mod periodic_table.mod base_hooks.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_kind_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_kind_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod xtb_types.mod basis_set_container_types.mod qs_dispersion_types.mod cp_control_types.mod input_section_types.mod atom_types.mod cp_para_types.mod semi_empirical_types.mod qs_dftb_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod string_utilities.mod orbital_pointers.mod atom_sgp.mod qs_harmonics_atom.mod cp_output_handling.mod semi_empirical_utils.mod qs_dftb_utils.mod base_hooks.mod mathconstants.mod soft_basis_set.mod physcon.mod cp_log_handling.mod input_constants.mod atom_upf.mod periodic_table.mod xtb_parameters.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_kind_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_kind_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod qs_dispersion_types.mod semi_empirical_types.mod cp_para_types.mod basis_set_types.mod xtb_types.mod atom_types.mod paw_proj_set_types.mod cp_control_types.mod basis_set_container_types.mod qs_dftb_types.mod cp_log_handling.mod xtb_parameters.mod atom_upf.mod qs_grid_atom.mod semi_empirical_utils.mod soft_basis_set.mod orbital_pointers.mod cp_output_handling.mod mathconstants.mod qs_dftb_utils.mod periodic_table.mod kinds.mod base_hooks.mod physcon.mod qs_harmonics_atom.mod string_utilities.mod input_constants.mod atom_sgp.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_kind_types.F qs_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_kind_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_kind_types.mod' due to: qs_kind_types.o /build/reproducible-path/cp2k-8.1/src/qs_kind_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod xtb_types.mod basis_set_container_types.mod qs_dispersion_types.mod cp_control_types.mod input_section_types.mod atom_types.mod cp_para_types.mod semi_empirical_types.mod qs_dftb_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod string_utilities.mod orbital_pointers.mod atom_sgp.mod qs_harmonics_atom.mod cp_output_handling.mod semi_empirical_utils.mod qs_dftb_utils.mod base_hooks.mod mathconstants.mod soft_basis_set.mod physcon.mod cp_log_handling.mod input_constants.mod atom_upf.mod periodic_table.mod xtb_parameters.mod qs_grid_atom.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_kind_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_kind_types.mod' due to: qs_kind_types.o /build/reproducible-path/cp2k-8.1/src/qs_kind_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod qs_dispersion_types.mod semi_empirical_types.mod cp_para_types.mod basis_set_types.mod xtb_types.mod atom_types.mod paw_proj_set_types.mod cp_control_types.mod basis_set_container_types.mod qs_dftb_types.mod cp_log_handling.mod xtb_parameters.mod atom_upf.mod qs_grid_atom.mod semi_empirical_utils.mod soft_basis_set.mod orbital_pointers.mod cp_output_handling.mod mathconstants.mod qs_dftb_utils.mod periodic_table.mod kinds.mod base_hooks.mod physcon.mod qs_harmonics_atom.mod string_utilities.mod input_constants.mod atom_sgp.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_integrate.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_integrate.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 eri_mme_types.mod kinds.mod eri_mme_lattice_summation.mod ao_util.mod base_hooks.mod mathconstants.mod orbital_pointers.mod eri_mme_gaussian.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_integrate.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_integrate.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 eri_mme_types.mod mathconstants.mod eri_mme_gaussian.mod eri_mme_lattice_summation.mod kinds.mod base_hooks.mod ao_util.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_integrate.F eri_mme_integrate.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eri_mme_integrate.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_integrate.F90 /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_integrate.F:718:39: 718 | /vol*mone_lb @@ -4804,11 +4779,11 @@ Warning: 's_g.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_integrate.F:93:63: Warning: 's_g.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_integrate.F:93:63: Warning: 's_g.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_integrate.mod' due to: eri_mme_integrate.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_integrate.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 eri_mme_types.mod kinds.mod eri_mme_lattice_summation.mod ao_util.mod base_hooks.mod mathconstants.mod orbital_pointers.mod eri_mme_gaussian.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_integrate.mod' due to: eri_mme_integrate.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_integrate.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 eri_mme_types.mod mathconstants.mod eri_mme_gaussian.mod eri_mme_lattice_summation.mod kinds.mod base_hooks.mod ao_util.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_test.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 eri_mme_types.mod cp_para_types.mod kinds.mod message_passing.mod eri_mme_integrate.mod base_hooks.mod mathconstants.mod orbital_pointers.mod eri_mme_gaussian.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eri_mme_test.o' due to: /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 eri_mme_types.mod cp_para_types.mod mathconstants.mod eri_mme_gaussian.mod kinds.mod base_hooks.mod orbital_pointers.mod eri_mme_integrate.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F eri_mme_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eri_mme_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/reproducible-path/cp2k-8.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_test.F90 /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F:78:73: 78 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: I_diff, I_ref, I_test @@ -4817,41 +4792,36 @@ /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F:78:73: Warning: 'i_ref.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F:78:73: Warning: 'i_ref.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F:78:73: Warning: 'i_ref.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_test.mod' due to: eri_mme_test.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 eri_mme_types.mod cp_para_types.mod kinds.mod message_passing.mod eri_mme_integrate.mod base_hooks.mod mathconstants.mod orbital_pointers.mod eri_mme_gaussian.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eri_mme_test.mod' due to: eri_mme_test.o /build/reproducible-path/cp2k-8.1/src/eri_mme/eri_mme_test.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 eri_mme_types.mod cp_para_types.mod mathconstants.mod eri_mme_gaussian.mod kinds.mod base_hooks.mod orbital_pointers.mod eri_mme_integrate.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_eri_mme_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_eri_mme_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod eri_mme_types.mod cp_para_types.mod cell_types.mod input_val_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod message_passing.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod eri_mme_test.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_eri_mme_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_eri_mme_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod eri_mme_types.mod input_val_types.mod cp_para_types.mod qs_kind_types.mod input_keyword_types.mod cell_types.mod kinds.mod message_passing.mod string_utilities.mod cp_log_handling.mod orbital_pointers.mod base_hooks.mod eri_mme_test.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_eri_mme_interface.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_eri_mme_interface.mod' due to: cp_eri_mme_interface.o /build/reproducible-path/cp2k-8.1/src/cp_eri_mme_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod eri_mme_types.mod cp_para_types.mod cell_types.mod input_val_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod message_passing.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod eri_mme_test.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_eri_mme_interface.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_eri_mme_interface.mod' due to: cp_eri_mme_interface.o /build/reproducible-path/cp2k-8.1/src/cp_eri_mme_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod eri_mme_types.mod input_val_types.mod cp_para_types.mod qs_kind_types.mod input_keyword_types.mod cell_types.mod kinds.mod message_passing.mod string_utilities.mod cp_log_handling.mod orbital_pointers.mod base_hooks.mod eri_mme_test.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_types_low.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_types_low.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod qmmm_gaussian_types.mod pw_pool_types.mod particle_types.mod pw_types.mod ewald_environment_types.mod ewald_pw_types.mod force_field_types.mod kinds.mod cp_eri_mme_interface.mod pw_grids.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_types_low.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_types_low.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_gaussian_types.mod force_field_types.mod pw_grid_types.mod pw_types.mod ewald_pw_types.mod pw_pool_types.mod particle_types.mod ewald_environment_types.mod cp_eri_mme_interface.mod pw_grids.mod kinds.mod base_hooks.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_types_low.F qmmm_types_low.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_types_low.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_types_low.mod' due to: qmmm_types_low.o /build/reproducible-path/cp2k-8.1/src/qmmm_types_low.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod qmmm_gaussian_types.mod pw_pool_types.mod particle_types.mod pw_types.mod ewald_environment_types.mod ewald_pw_types.mod force_field_types.mod kinds.mod cp_eri_mme_interface.mod pw_grids.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_types_low.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_types_low.mod' due to: qmmm_types_low.o /build/reproducible-path/cp2k-8.1/src/qmmm_types_low.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_gaussian_types.mod force_field_types.mod pw_grid_types.mod pw_types.mod ewald_pw_types.mod pw_pool_types.mod particle_types.mod ewald_environment_types.mod cp_eri_mme_interface.mod pw_grids.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_neighbor_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod cell_types.mod kinds.mod memory_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_neighbor_list_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_neighbor_list_types.mod' due to: fist_neighbor_list_types.o /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod cell_types.mod kinds.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_efield_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_efield_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_efield_types.F fist_efield_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_efield_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_efield_types.mod' due to: fist_efield_types.o /build/reproducible-path/cp2k-8.1/src/fist_efield_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_nonbond_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_nonbond_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod fist_neighbor_list_types.mod cell_types.mod pair_potential_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_nonbond_env_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_nonbond_env_types.mod' due to: fist_nonbond_env_types.o /build/reproducible-path/cp2k-8.1/src/fist_nonbond_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod fist_neighbor_list_types.mod cell_types.mod pair_potential_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_energy_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_energy_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_energy_types.F fist_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_energy_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_energy_types.mod' due to: fist_energy_types.o /build/reproducible-path/cp2k-8.1/src/fist_energy_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod fist_efield_types.mod distribution_1d_types.mod ewald_pw_types.mod molecule_list_types.mod fist_energy_types.mod particle_types.mod qmmm_types_low.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod ewald_environment_types.mod molecule_types.mod cp_result_types.mod multipole_types.mod cp_subsys_types.mod cp_para_types.mod fist_nonbond_env_types.mod base_hooks.mod cp_para_env.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod cp_result_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod atomic_kind_list_types.mod ewald_pw_types.mod fist_efield_types.mod fist_energy_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod multipole_types.mod cell_types.mod cp_subsys_types.mod cp_para_env.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_environment_types.F fist_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_environment_types.mod' due to: fist_environment_types.o /build/reproducible-path/cp2k-8.1/src/fist_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod fist_efield_types.mod distribution_1d_types.mod ewald_pw_types.mod molecule_list_types.mod fist_energy_types.mod particle_types.mod qmmm_types_low.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod ewald_environment_types.mod molecule_types.mod cp_result_types.mod multipole_types.mod cp_subsys_types.mod cp_para_types.mod fist_nonbond_env_types.mod base_hooks.mod cp_para_env.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_charges_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_charges_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_charges_types.F qs_charges_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_charges_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_charges_types.mod' due to: qs_charges_types.o /build/reproducible-path/cp2k-8.1/src/qs_charges_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_environment_types.mod' due to: fist_environment_types.o /build/reproducible-path/cp2k-8.1/src/fist_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod cp_result_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod atomic_kind_list_types.mod ewald_pw_types.mod fist_efield_types.mod fist_energy_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod multipole_types.mod cell_types.mod cp_subsys_types.mod cp_para_env.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'et_coupling_types.o' due to: /build/reproducible-path/cp2k-8.1/src/et_coupling_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'et_coupling_types.o' due to: /build/reproducible-path/cp2k-8.1/src/et_coupling_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/et_coupling_types.F et_coupling_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' et_coupling_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' et_coupling_types.F90 /build/reproducible-path/cp2k-8.1/src/et_coupling_types.F:74:34: 74 | SUBROUTINE get_et_coupling_type(et_coupling, et_mo_coeff, rest_mat) @@ -4859,222 +4829,252 @@ Warning: 'get_et_coupling_type' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'et_coupling_types.mod' due to: et_coupling_types.o /build/reproducible-path/cp2k-8.1/src/et_coupling_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_force_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_force_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod kinds.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'distribution_2d_types.o' due to: /build/reproducible-path/cp2k-8.1/src/distribution_2d_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_log_handling.mod base_hooks.mod cp_array_utils.mod cp_blacs_env.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/distribution_2d_types.F distribution_2d_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' distribution_2d_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'distribution_2d_types.mod' due to: distribution_2d_types.o /build/reproducible-path/cp2k-8.1/src/distribution_2d_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_log_handling.mod base_hooks.mod cp_array_utils.mod cp_blacs_env.mod machine.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_force_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_force_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod kinds.mod base_hooks.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_force_types.F qs_force_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_force_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_force_types.mod' due to: qs_force_types.o /build/reproducible-path/cp2k-8.1/src/qs_force_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod kinds.mod message_passing.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_force_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_force_types.mod' due to: qs_force_types.o /build/reproducible-path/cp2k-8.1/src/qs_force_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod kinds.mod base_hooks.mod message_passing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'grid_api.mod' due to: grid_api.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'task_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/task_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod grid_api.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/task_list_types.F task_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' task_list_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'task_list_types.mod' due to: task_list_types.o /build/reproducible-path/cp2k-8.1/src/task_list_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod grid_api.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'preconditioner_types.o' due to: /build/reproducible-path/cp2k-8.1/src/preconditioner_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_para_env.mod kinds.mod base_hooks.mod input_constants.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/preconditioner_types.F preconditioner_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' preconditioner_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'preconditioner_types.mod' due to: preconditioner_types.o /build/reproducible-path/cp2k-8.1/src/preconditioner_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_para_env.mod kinds.mod base_hooks.mod input_constants.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho_atom_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_operations.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_operations.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod cp_fm_types.mod cp_cfm_types.mod cp_para_types.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod mathlib.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_dbcsr_operations.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_operations.mod' due to: cp_dbcsr_operations.o /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_operations.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod cp_fm_types.mod cp_cfm_types.mod cp_para_types.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod mathlib.mod cp_blacs_env.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kpoint_transitional.o' due to: /build/reproducible-path/cp2k-8.1/src/kpoint_transitional.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kpoint_transitional.F kpoint_transitional.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kpoint_transitional.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kpoint_transitional.mod' due to: kpoint_transitional.o /build/reproducible-path/cp2k-8.1/src/kpoint_transitional.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_dbcsr_operations.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod kpoint_transitional.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho_types.F qs_rho_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho_types.mod' due to: qs_rho_types.o /build/reproducible-path/cp2k-8.1/src/qs_rho_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod kpoint_transitional.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho_atom_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_types.F qs_rho_atom_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_rho_atom_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho_atom_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho_atom_types.mod' due to: qs_rho_atom_types.o /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod cp_fm_types.mod kinds.mod cp_para_env.mod cp_array_utils.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_types.F qs_loc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_loc_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_types.mod' due to: qs_loc_types.o /build/reproducible-path/cp2k-8.1/src/qs_loc_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod cp_fm_types.mod kinds.mod cp_para_env.mod cp_array_utils.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod atomic_kind_types.mod realspace_grid_types.mod qs_loc_types.mod cp_fm_types.mod qs_kind_types.mod qs_rho_types.mod basis_set_types.mod kinds.mod cp_array_utils.mod base_hooks.mod qs_grid_atom.mod qs_harmonics_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_types.F qs_linres_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_types.F90 -/build/reproducible-path/cp2k-8.1/src/qs_linres_types.F:1096:35: - - 1096 | SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom) - | ^ -Warning: 'deallocate_jrho_coeff' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/qs_linres_types.F:1135:27: - - 1135 | SUBROUTINE get_jrho_atom(jrho1_atom_set, iatom, cjc_h, cjc_s, cjc_ii_h, cjc_ii_s, & - | ^ -Warning: 'get_jrho_atom' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_types.mod' due to: qs_linres_types.o /build/reproducible-path/cp2k-8.1/src/qs_linres_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod atomic_kind_types.mod realspace_grid_types.mod qs_loc_types.mod cp_fm_types.mod qs_kind_types.mod qs_rho_types.mod basis_set_types.mod kinds.mod cp_array_utils.mod base_hooks.mod qs_grid_atom.mod qs_harmonics_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hartree_local_types.o' due to: /build/reproducible-path/cp2k-8.1/src/hartree_local_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hartree_local_types.F hartree_local_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hartree_local_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hartree_local_types.mod' due to: hartree_local_types.o /build/reproducible-path/cp2k-8.1/src/hartree_local_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_subsys_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_subsys_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod colvar_types.mod distribution_1d_types.mod qs_kind_types.mod molecule_list_types.mod particle_types.mod molecule_kind_list_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod molecule_types.mod cp_result_types.mod multipole_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod atprop_types.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_subsys_types.F qs_subsys_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_subsys_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_subsys_types.mod' due to: qs_subsys_types.o /build/reproducible-path/cp2k-8.1/src/qs_subsys_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod colvar_types.mod distribution_1d_types.mod qs_kind_types.mod molecule_list_types.mod particle_types.mod molecule_kind_list_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod molecule_types.mod cp_result_types.mod multipole_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod atprop_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_derivative_desc.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_desc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_desc.F xc_derivative_desc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_derivative_desc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_derivative_desc.mod' due to: xc_derivative_desc.o /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_desc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_density_mixing_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_density_mixing_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod ao_util.mod string_utilities.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_density_mixing_types.F qs_density_mixing_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_density_mixing_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_density_mixing_types.mod' due to: qs_density_mixing_types.o /build/reproducible-path/cp2k-8.1/src/qs_density_mixing_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod ao_util.mod string_utilities.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_derivative_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod kinds.mod base_hooks.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_types.F xc_derivative_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_derivative_types.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_types.F:92:34: + + 92 | SUBROUTINE xc_derivative_retain(deriv) + | ^ +Warning: 'xc_derivative_retain' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_derivative_types.mod' due to: xc_derivative_types.o /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod kinds.mod base_hooks.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'linesearch.o' due to: /build/reproducible-path/cp2k-8.1/src/linesearch.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod kinds.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/linesearch.F linesearch.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' linesearch.F90 -/build/reproducible-path/cp2k-8.1/src/linesearch.F:321:32: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_linked_list_xc_deriv.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F cp_linked_list_xc_deriv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_linked_list_xc_deriv.F90 +/build/reproducible-path/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F:47:3: - 321 | this%step_size = step_size - | ^ -Warning: 'step_size' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/linesearch.F:322:27: + 47 | $:inst(nametype1, type1, type1in, type1out, eq, arrayeq, type1arrayEl, arrayEl, private_routines) + | ^ +Warning: 'cp_sll_deriv_less_q' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_linked_list_xc_deriv.mod' due to: cp_linked_list_xc_deriv.o /build/reproducible-path/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_derivative_set_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_set_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod xc_derivative_types.mod cp_linked_list_xc_deriv.mod pw_grids.mod kinds.mod base_hooks.mod xc_derivative_desc.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_set_types.F xc_derivative_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_derivative_set_types.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_set_types.F:187:28: - 322 | this%starts = is_done - | ^ -Warning: 'is_done' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'linesearch.mod' due to: linesearch.o /build/reproducible-path/cp2k-8.1/src/linesearch.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod kinds.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod + 187 | SUBROUTINE xc_dset_retain(deriv_set) + | ^ +Warning: 'xc_dset_retain' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_derivative_set_types.mod' due to: xc_derivative_set_types.o /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_set_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod xc_derivative_types.mod cp_linked_list_xc_deriv.mod pw_grids.mod kinds.mod base_hooks.mod xc_derivative_desc.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod linesearch.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_types.F pao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_types.mod' due to: pao_types.o /build/reproducible-path/cp2k-8.1/src/pao_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod linesearch.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_rho_cflags_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_cflags_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_cflags_types.F xc_rho_cflags_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_rho_cflags_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_rho_cflags_types.mod' due to: xc_rho_cflags_types.o /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_cflags_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pexsi_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/pexsi_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pexsi_interface.F pexsi_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pexsi_interface.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pexsi_interface.mod' due to: pexsi_interface.o /build/reproducible-path/cp2k-8.1/src/pexsi_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_input_constants.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_input_constants.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_input_constants.F xc_input_constants.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_input_constants.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_input_constants.mod' due to: xc_input_constants.o /build/reproducible-path/cp2k-8.1/src/xc/xc_input_constants.F true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pexsi_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pexsi_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod bibliography.mod message_passing.mod pexsi_interface.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pexsi_types.F pexsi_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pexsi_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pexsi_types.mod' due to: pexsi_types.o /build/reproducible-path/cp2k-8.1/src/pexsi_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod bibliography.mod message_passing.mod pexsi_interface.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_rho_set_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_set_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod xc_rho_cflags_types.mod kinds.mod pw_spline_utils.mod xc_input_constants.mod base_hooks.mod cp_array_utils.mod pw_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_rho_set_types.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_rho_set_types.F:163:31: + + 163 | SUBROUTINE xc_rho_set_retain(rho_set) + | ^ +Warning: 'xc_rho_set_retain' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_rho_set_types.mod' due to: xc_rho_set_types.o /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_set_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod xc_rho_cflags_types.mod kinds.mod pw_spline_utils.mod xc_input_constants.mod base_hooks.mod cp_array_utils.mod pw_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_types.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_density_mixing_types.mod cp_para_types.mod pao_types.mod pexsi_types.mod kinds.mod cp_para_env.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dm_ls_scf_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_types.mod' due to: dm_ls_scf_types.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_density_mixing_types.mod cp_para_types.mod pao_types.mod pexsi_types.mod kinds.mod cp_para_env.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_kpp1_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_kpp1_env_types.F90 +/build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_types.F:156:25: + + 156 | SUBROUTINE kpp1_retain(kpp1_env) + | ^ +Warning: 'kpp1_retain' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_kpp1_env_types.mod' due to: qs_kpp1_env_types.o /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_pool_types.mod' due to: cp_fm_pool_types.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'whittaker.mod' due to: whittaker.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mo_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mo_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_fm_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mo_types.F qs_mo_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_mo_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mo_types.mod' due to: qs_mo_types.o /build/reproducible-path/cp2k-8.1/src/qs_mo_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_fm_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho0_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho0_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_rho_atom_types.mod cp_units.mod mathconstants.mod memory_utilities.mod qs_grid_atom.mod kinds.mod base_hooks.mod whittaker.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho0_types.F qs_rho0_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho0_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho0_types.mod' due to: qs_rho0_types.o /build/reproducible-path/cp2k-8.1/src/qs_rho0_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_rho_atom_types.mod cp_units.mod mathconstants.mod memory_utilities.mod qs_grid_atom.mod kinds.mod base_hooks.mod whittaker.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_local_rho_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_local_rho_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho0_types.mod qs_rho_atom_types.mod mathconstants.mod memory_utilities.mod qs_grid_atom.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_local_rho_types.F qs_local_rho_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_local_rho_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_local_rho_types.mod' due to: qs_local_rho_types.o /build/reproducible-path/cp2k-8.1/src/qs_local_rho_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho0_types.mod qs_rho_atom_types.mod mathconstants.mod memory_utilities.mod qs_grid_atom.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_vect.mod' due to: cp_fm_vect.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_matrix_pools.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_matrix_pools.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod qs_mo_types.mod cp_blacs_env.mod cp_fm_struct.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_matrix_pools.F qs_matrix_pools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_matrix_pools.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_matrix_pools.mod' due to: qs_matrix_pools.o /build/reproducible-path/cp2k-8.1/src/qs_matrix_pools.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod qs_mo_types.mod cp_blacs_env.mod cp_fm_struct.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_p_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_p_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod qs_rho_types.mod hartree_local_types.mod qs_kpp1_env_types.mod qs_local_rho_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_vect.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_p_env_types.F qs_p_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_p_env_types.F90 +/build/reproducible-path/cp2k-8.1/src/qs_p_env_types.F:115:26: + + 115 | SUBROUTINE p_env_retain(p_env) + | ^ +Warning: 'p_env_retain' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_p_env_types.mod' due to: qs_p_env_types.o /build/reproducible-path/cp2k-8.1/src/qs_p_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod qs_rho_types.mod hartree_local_types.mod qs_kpp1_env_types.mod qs_local_rho_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_vect.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation_types.o' due to: /build/reproducible-path/cp2k-8.1/src/rt_propagation_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod cp_fm_types.mod qs_mo_types.mod kinds.mod bibliography.mod cp_dbcsr_operations.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod cp_fm_vect.mod qs_matrix_pools.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rt_propagation_types.F rt_propagation_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rt_propagation_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation_types.mod' due to: rt_propagation_types.o /build/reproducible-path/cp2k-8.1/src/rt_propagation_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod cp_fm_types.mod qs_mo_types.mod kinds.mod bibliography.mod cp_dbcsr_operations.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod cp_fm_vect.mod qs_matrix_pools.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_period_efield_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_period_efield_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_period_efield_types.F qs_period_efield_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_period_efield_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_period_efield_types.mod' due to: qs_period_efield_types.o /build/reproducible-path/cp2k-8.1/src/qs_period_efield_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_dbcsr_operations.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'transport_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/transport_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/transport_env_types.F transport_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' transport_env_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'transport_env_types.mod' due to: transport_env_types.o /build/reproducible-path/cp2k-8.1/src/transport_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ec_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/ec_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_force_types.mod pw_types.mod task_list_types.mod qs_dispersion_types.mod qs_neighbor_list_types.mod qs_p_env_types.mod qs_period_efield_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ec_env_types.F ec_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ec_env_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ec_env_types.mod' due to: ec_env_types.o /build/reproducible-path/cp2k-8.1/src/ec_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_force_types.mod pw_types.mod task_list_types.mod qs_dispersion_types.mod qs_neighbor_list_types.mod qs_p_env_types.mod qs_period_efield_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_active_space_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_active_space_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_active_space_types.F qs_active_space_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_active_space_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_active_space_types.mod' due to: qs_active_space_types.o /build/reproducible-path/cp2k-8.1/src/qs_active_space_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gcp_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gcp_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gcp_types.F qs_gcp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gcp_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gcp_types.mod' due to: qs_gcp_types.o /build/reproducible-path/cp2k-8.1/src/qs_gcp_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mscfg_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mscfg_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mscfg_types.F mscfg_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mscfg_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mscfg_types.mod' due to: mscfg_types.o /build/reproducible-path/cp2k-8.1/src/mscfg_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_pool_types.mod' due to: cp_fm_pool_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gaussian_gridlevels.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_env/gaussian_gridlevels.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_env/gaussian_gridlevels.F gaussian_gridlevels.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw_env/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' gaussian_gridlevels.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gaussian_gridlevels.mod' due to: gaussian_gridlevels.o /build/reproducible-path/cp2k-8.1/src/pw_env/gaussian_gridlevels.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mo_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mo_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_pool_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mo_types.F qs_mo_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mo_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mo_types.mod' due to: qs_mo_types.o /build/reproducible-path/cp2k-8.1/src/qs_mo_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_pool_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_env/pw_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod input_section_types.mod realspace_grid_types.mod pw_poisson_types.mod cube_utils.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_env/pw_env_types.F pw_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw_env/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_env_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_env_types.mod' due to: pw_env_types.o /build/reproducible-path/cp2k-8.1/src/pw_env/pw_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod input_section_types.mod realspace_grid_types.mod pw_poisson_types.mod cube_utils.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_kpoints.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_kpoints.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod string_utilities.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_kpoints.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_kpoints.mod' due to: input_cp2k_kpoints.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_kpoints.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod string_utilities.mod base_hooks.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_period_efield_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_period_efield_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_dbcsr_operations.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_period_efield_types.F qs_period_efield_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_period_efield_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_period_efield_types.mod' due to: qs_period_efield_types.o /build/reproducible-path/cp2k-8.1/src/qs_period_efield_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_matrix_pools.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_matrix_pools.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_mo_types.mod cp_fm_pool_types.mod cp_fm_struct.mod base_hooks.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_matrix_pools.F qs_matrix_pools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_matrix_pools.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_matrix_pools.mod' due to: qs_matrix_pools.o /build/reproducible-path/cp2k-8.1/src/qs_matrix_pools.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_mo_types.mod cp_fm_pool_types.mod cp_fm_struct.mod base_hooks.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'grid_api.mod' due to: grid_api.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kpoint_types.o' due to: /build/reproducible-path/cp2k-8.1/src/kpoint_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_para_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_para_env.mod mathconstants.mod input_cp2k_kpoints.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod physcon.mod cp_blacs_env.mod qs_matrix_pools.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kpoint_types.F kpoint_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kpoint_types.F90 +/build/reproducible-path/cp2k-8.1/src/kpoint_types.F:418:29: + + 418 | SUBROUTINE set_kpoint_info(kpoint, kp_scheme, nkp_grid, kp_shift, symmetry, verbose, & + | ^ +Warning: 'set_kpoint_info' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kpoint_types.mod' due to: kpoint_types.o /build/reproducible-path/cp2k-8.1/src/kpoint_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_para_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_para_env.mod mathconstants.mod input_cp2k_kpoints.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod physcon.mod cp_blacs_env.mod qs_matrix_pools.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'task_list_types.o' due to: /build/reproducible-path/cp2k-8.1/src/task_list_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod grid_api.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/task_list_types.F task_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' task_list_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'task_list_types.mod' due to: task_list_types.o /build/reproducible-path/cp2k-8.1/src/task_list_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod grid_api.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pexsi_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/pexsi_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pexsi_interface.F pexsi_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pexsi_interface.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pexsi_interface.mod' due to: pexsi_interface.o /build/reproducible-path/cp2k-8.1/src/pexsi_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'block_p_types.o' due to: /build/reproducible-path/cp2k-8.1/src/block_p_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/block_p_types.F block_p_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' block_p_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'block_p_types.mod' due to: block_p_types.o /build/reproducible-path/cp2k-8.1/src/block_p_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pexsi_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pexsi_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_log_handling.mod base_hooks.mod bibliography.mod message_passing.mod pexsi_interface.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pexsi_types.F pexsi_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pexsi_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pexsi_types.mod' due to: pexsi_types.o /build/reproducible-path/cp2k-8.1/src/pexsi_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_log_handling.mod base_hooks.mod bibliography.mod message_passing.mod pexsi_interface.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_moments.mod' due to: ai_moments.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_density_mixing_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_density_mixing_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod qs_rho_atom_types.mod input_val_types.mod kinds.mod cp_dbcsr_operations.mod string_utilities.mod base_hooks.mod ao_util.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_density_mixing_types.F qs_density_mixing_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_density_mixing_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_density_mixing_types.mod' due to: qs_density_mixing_types.o /build/reproducible-path/cp2k-8.1/src/qs_density_mixing_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod qs_rho_atom_types.mod input_val_types.mod kinds.mod cp_dbcsr_operations.mod string_utilities.mod base_hooks.mod ao_util.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'sap_kind_types.o' due to: /build/reproducible-path/cp2k-8.1/src/sap_kind_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod external_potential_types.mod particle_types.mod cell_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod util.mod ai_overlap.mod ai_moments.mod base_hooks.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/sap_kind_types.F sap_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:00:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' sap_kind_types.F90 -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:76: - - 299 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a - | ^ -Warning: 'alpha_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:76: Warning: 'alpha_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:76: Warning: 'alpha_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:76: Warning: 'alpha_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:288:92: - - 288 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, & - | ^ -Warning: 'nprj_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:288:92: Warning: 'nprj_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:288:92: Warning: 'nprj_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:288:92: Warning: 'nprj_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:300:96: - - 300 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, h_nl, rpgfa, sphi_a, vprj_ppnl, & - | ^ -Warning: 'vprj_ppnl.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: 'vprj_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: 'vprj_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: 'vprj_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: 'vprj_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:82: - - 299 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a - | ^ -Warning: 'hprj.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:82: Warning: 'hprj.span' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:82: Warning: 'hprj.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:82: Warning: 'hprj.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:591:44: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'linesearch.o' due to: /build/reproducible-path/cp2k-8.1/src/linesearch.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/linesearch.F linesearch.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' linesearch.F90 +/build/reproducible-path/cp2k-8.1/src/linesearch.F:321:32: - 591 | work(1:np, 1:nb) = MATMUL(sab(1:np, first_col:first_col + nprjc - 1), cprj(1:nprjc, 1:nb)) - | ^ -Warning: 'nprjc' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:285:83: + 321 | this%step_size = step_size + | ^ +Warning: 'step_size' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/linesearch.F:322:27: - 285 | maxsgf, na, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, nsgfa, & - | ^ -note: 'nprjc' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'sap_kind_types.mod' due to: sap_kind_types.o /build/reproducible-path/cp2k-8.1/src/sap_kind_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod external_potential_types.mod particle_types.mod cell_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod util.mod ai_overlap.mod ai_moments.mod base_hooks.mod orbital_pointers.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_oce_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_oce_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 block_p_types.mod sap_kind_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_oce_types.F qs_oce_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_oce_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_oce_types.mod' due to: qs_oce_types.o /build/reproducible-path/cp2k-8.1/src/qs_oce_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 block_p_types.mod sap_kind_types.mod kinds.mod base_hooks.mod + 322 | this%starts = is_done + | ^ +Warning: 'is_done' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'linesearch.mod' due to: linesearch.o /build/reproducible-path/cp2k-8.1/src/linesearch.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'whittaker.mod' due to: whittaker.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod linesearch.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_types.F pao_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_types.mod' due to: pao_types.o /build/reproducible-path/cp2k-8.1/src/pao_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod linesearch.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho0_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho0_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod pw_types.mod kinds.mod cp_units.mod memory_utilities.mod base_hooks.mod mathconstants.mod qs_grid_atom.mod whittaker.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho0_types.F qs_rho0_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_rho0_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho0_types.mod' due to: qs_rho0_types.o /build/reproducible-path/cp2k-8.1/src/qs_rho0_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod pw_types.mod kinds.mod cp_units.mod memory_utilities.mod base_hooks.mod mathconstants.mod qs_grid_atom.mod whittaker.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_types.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pexsi_types.mod cp_para_types.mod qs_density_mixing_types.mod pao_types.mod cp_para_env.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_types.mod' due to: dm_ls_scf_types.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pexsi_types.mod cp_para_types.mod qs_density_mixing_types.mod pao_types.mod cp_para_env.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_local_rho_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_local_rho_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod qs_rho0_types.mod kinds.mod memory_utilities.mod base_hooks.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_local_rho_types.F qs_local_rho_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_local_rho_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_local_rho_types.mod' due to: qs_local_rho_types.o /build/reproducible-path/cp2k-8.1/src/qs_local_rho_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod qs_rho0_types.mod kinds.mod memory_utilities.mod base_hooks.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod cp_para_env.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_types.F qs_loc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_types.mod' due to: qs_loc_types.o /build/reproducible-path/cp2k-8.1/src/qs_loc_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod cp_para_env.mod kinds.mod base_hooks.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'admm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/admm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod task_list_types.mod qs_mo_types.mod cp_para_types.mod cp_control_types.mod qs_kind_types.mod cp_fm_types.mod qs_oce_types.mod qs_local_rho_types.mod kinds.mod bibliography.mod cp_fm_struct.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/admm_types.F admm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' admm_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'admm_types.mod' due to: admm_types.o /build/reproducible-path/cp2k-8.1/src/admm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod task_list_types.mod qs_mo_types.mod cp_para_types.mod cp_control_types.mod qs_kind_types.mod cp_fm_types.mod qs_oce_types.mod qs_local_rho_types.mod kinds.mod bibliography.mod cp_fm_struct.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod cp_fm_types.mod atomic_kind_types.mod qs_rho_types.mod qs_kind_types.mod qs_loc_types.mod realspace_grid_types.mod qs_rho_atom_types.mod qs_grid_atom.mod kinds.mod base_hooks.mod cp_array_utils.mod qs_harmonics_atom.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_types.F qs_linres_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_types.F90 +/build/reproducible-path/cp2k-8.1/src/qs_linres_types.F:1096:35: + + 1096 | SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom) + | ^ +Warning: 'deallocate_jrho_coeff' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/qs_linres_types.F:1135:27: + + 1135 | SUBROUTINE get_jrho_atom(jrho1_atom_set, iatom, cjc_h, cjc_s, cjc_ii_h, cjc_ii_s, & + | ^ +Warning: 'get_jrho_atom' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_types.mod' due to: qs_linres_types.o /build/reproducible-path/cp2k-8.1/src/qs_linres_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod cp_fm_types.mod atomic_kind_types.mod qs_rho_types.mod qs_kind_types.mod qs_loc_types.mod realspace_grid_types.mod qs_rho_atom_types.mod qs_grid_atom.mod kinds.mod base_hooks.mod cp_array_utils.mod qs_harmonics_atom.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_block_davidson_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_block_davidson_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod kinds.mod cp_fm_struct.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_block_davidson_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_block_davidson_types.mod' due to: qs_block_davidson_types.o /build/reproducible-path/cp2k-8.1/src/qs_block_davidson_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod kinds.mod cp_fm_struct.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'transport_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/transport_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/transport_env_types.F transport_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' transport_env_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'transport_env_types.mod' due to: transport_env_types.o /build/reproducible-path/cp2k-8.1/src/transport_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_diis_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_diis_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_diis_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_diis_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_diis_types.F qs_diis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_diis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_diis_types.F90 /build/reproducible-path/cp2k-8.1/src/qs_diis_types.F:84:30: 84 | SUBROUTINE qs_diis_b_retain(diis_buffer) @@ -5082,9 +5082,9 @@ Warning: 'qs_diis_b_retain' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_diis_types.mod' due to: qs_diis_types.o /build/reproducible-path/cp2k-8.1/src/qs_diis_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_trial_fns_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_trial_fns_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_trial_fns_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_trial_fns_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_trial_fns_types.F qs_fb_trial_fns_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_trial_fns_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_trial_fns_types.F90 /build/reproducible-path/cp2k-8.1/src/qs_fb_trial_fns_types.F:166:31: 166 | SUBROUTINE fb_trial_fns_init(trial_fns) @@ -5092,9 +5092,9 @@ Warning: 'fb_trial_fns_init' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_trial_fns_types.mod' due to: qs_fb_trial_fns_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_trial_fns_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_atomic_halo_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_halo_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_kind_types.mod kinds.mod util.mod message_passing.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_atomic_halo_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_halo_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod message_passing.mod util.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_halo_types.F qs_fb_atomic_halo_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_atomic_halo_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_atomic_halo_types.F90 /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_halo_types.F:140:35: 140 | SUBROUTINE fb_atomic_halo_retain(atomic_halo) @@ -5115,11 +5115,11 @@ 745 | SUBROUTINE fb_atomic_halo_list_write(atomic_halos, para_env, fb_section) | ^ Warning: 'fb_atomic_halo_list_write' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_atomic_halo_types.mod' due to: qs_fb_atomic_halo_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_halo_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_kind_types.mod kinds.mod util.mod message_passing.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_atomic_halo_types.mod' due to: qs_fb_atomic_halo_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_halo_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod message_passing.mod util.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_env_types.F qs_fb_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_env_types.F90 /build/reproducible-path/cp2k-8.1/src/qs_fb_env_types.F:101:27: 101 | SUBROUTINE fb_env_retain(fb_env) @@ -5137,226 +5137,136 @@ Warning: 'fb_env_init' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_env_types.mod' due to: qs_fb_env_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'preconditioner_types.o' due to: /build/reproducible-path/cp2k-8.1/src/preconditioner_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod kinds.mod cp_para_env.mod cp_blacs_env.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/preconditioner_types.F preconditioner_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' preconditioner_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'preconditioner_types.mod' due to: preconditioner_types.o /build/reproducible-path/cp2k-8.1/src/preconditioner_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod kinds.mod cp_para_env.mod cp_blacs_env.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_block_davidson_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_block_davidson_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_fm_struct.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_block_davidson_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_block_davidson_types.mod' due to: qs_block_davidson_types.o /build/reproducible-path/cp2k-8.1/src/qs_block_davidson_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_fm_struct.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ot_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ot_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod preconditioner_types.mod kinds.mod bibliography.mod cp_para_env.mod cp_blacs_env.mod cp_fm_struct.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ot_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ot_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod cp_para_types.mod cp_para_env.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod bibliography.mod cp_blacs_env.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ot_types.F qs_ot_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ot_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ot_types.mod' due to: qs_ot_types.o /build/reproducible-path/cp2k-8.1/src/qs_ot_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod preconditioner_types.mod kinds.mod bibliography.mod cp_para_env.mod cp_blacs_env.mod cp_fm_struct.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ot_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ot_types.mod' due to: qs_ot_types.o /build/reproducible-path/cp2k-8.1/src/qs_ot_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod cp_para_types.mod cp_para_env.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod bibliography.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_block_davidson_types.mod input_section_types.mod qs_density_mixing_types.mod qs_diis_types.mod qs_fb_env_types.mod cp_fm_types.mod outer_scf_control_types.mod qs_ot_types.mod preconditioner_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_vect.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_diis_types.mod input_section_types.mod cp_fm_types.mod preconditioner_types.mod qs_fb_env_types.mod qs_block_davidson_types.mod outer_scf_control_types.mod qs_density_mixing_types.mod qs_ot_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_vect.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_types.F qs_scf_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_types.mod' due to: qs_scf_types.o /build/reproducible-path/cp2k-8.1/src/qs_scf_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_block_davidson_types.mod input_section_types.mod qs_density_mixing_types.mod qs_diis_types.mod qs_fb_env_types.mod cp_fm_types.mod outer_scf_control_types.mod qs_ot_types.mod preconditioner_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_vect.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mom_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mom_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod bibliography.mod string_utilities.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mom_types.F qs_mom_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_mom_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mom_types.mod' due to: qs_mom_types.o /build/reproducible-path/cp2k-8.1/src/qs_mom_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod bibliography.mod string_utilities.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_types.mod' due to: qs_scf_types.o /build/reproducible-path/cp2k-8.1/src/qs_scf_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_diis_types.mod input_section_types.mod cp_fm_types.mod preconditioner_types.mod qs_fb_env_types.mod qs_block_davidson_types.mod outer_scf_control_types.mod qs_density_mixing_types.mod qs_ot_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_vect.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_input.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pao_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod linesearch.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_input.F pao_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_input.F90 -/build/reproducible-path/cp2k-8.1/src/pao_input.F:232:31: - - 232 | s = "GAUSSIAN_PROCESS" - | 1 -Warning: CHARACTER expression will be truncated in assignment (10/16) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/pao_input.F:234:29: - - 234 | s = "NEURAL_NETWORK" - | 1 -Warning: CHARACTER expression will be truncated in assignment (10/14) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_input.mod' due to: pao_input.o /build/reproducible-path/cp2k-8.1/src/pao_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pao_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod linesearch.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewald_spline_util.o' due to: /build/reproducible-path/cp2k-8.1/src/ewald_spline_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod cell_types.mod pw_grids.mod kinds.mod pw_spline_utils.mod cp_log_handling.mod base_hooks.mod pw_methods.mod message_passing.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewald_spline_util.F ewald_spline_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewald_spline_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewald_spline_util.mod' due to: ewald_spline_util.o /build/reproducible-path/cp2k-8.1/src/ewald_spline_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod cell_types.mod pw_grids.mod kinds.mod pw_spline_utils.mod cp_log_handling.mod base_hooks.mod pw_methods.mod message_passing.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_ls.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_ls.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_density_mixing_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod pao_input.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_ls.F input_cp2k_ls.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_ls.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_ls.mod' due to: input_cp2k_ls.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_ls.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_density_mixing_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod pao_input.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_colvar.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_colvar.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod colvar_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_colvar.F input_cp2k_colvar.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_colvar.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_colvar.mod' due to: input_cp2k_colvar.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_colvar.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod colvar_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_field.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_field.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_field.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_field.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_field.F input_cp2k_field.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_field.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_field.mod' due to: input_cp2k_field.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_field.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_field.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_field.mod' due to: input_cp2k_field.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_field.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_mm.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_mm.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_kind_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod input_cp2k_field.mod base_hooks.mod input_constants.mod input_cp2k_poisson.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_mm.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_mm.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_kind_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod input_cp2k_field.mod bibliography.mod input_cp2k_poisson.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_mm.F input_cp2k_mm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_mm.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_mm.mod' due to: input_cp2k_mm.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_mm.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_kind_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod input_cp2k_field.mod base_hooks.mod input_constants.mod input_cp2k_poisson.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_kpoints.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_kpoints.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_kpoints.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_kpoints.mod' due to: input_cp2k_kpoints.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_kpoints.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_transport.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_transport.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_transport.F input_cp2k_transport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_transport.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_transport.mod' due to: input_cp2k_transport.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_transport.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_spline_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_env/cp_spline_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod input_section_types.mod pw_types.mod kinds.mod pw_spline_utils.mod pw_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_env/cp_spline_utils.F cp_spline_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw_env/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_spline_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_spline_utils.mod' due to: cp_spline_utils.o /build/reproducible-path/cp2k-8.1/src/pw_env/cp_spline_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod input_section_types.mod pw_types.mod kinds.mod pw_spline_utils.mod pw_methods.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_input.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod cp_units.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_input.F qs_fb_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_input.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_input.mod' due to: qs_fb_input.o /build/reproducible-path/cp2k-8.1/src/qs_fb_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod cp_units.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_almo.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_almo.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_almo.F input_cp2k_almo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_almo.F90 -/build/reproducible-path/cp2k-8.1/src/input_cp2k_almo.F:684:55: - - 684 | optimizer_type .EQ. optimizer_lin_eq_pcg .OR. & - | ^ -Warning: 'optimizer_type' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_almo.mod' due to: input_cp2k_almo.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_almo.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_tb.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_tb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod input_cp2k_mm.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_tb.F input_cp2k_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_tb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_tb.mod' due to: input_cp2k_tb.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_tb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod input_cp2k_mm.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_colvar.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_colvar.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod colvar_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_colvar.F input_cp2k_colvar.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_colvar.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_colvar.mod' due to: input_cp2k_colvar.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_colvar.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod colvar_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:12:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_mm.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_mm.mod' due to: input_cp2k_mm.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_mm.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_kind_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod input_cp2k_field.mod bibliography.mod input_cp2k_poisson.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_subsys.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_subsys.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod input_cp2k_colvar.mod base_hooks.mod input_cp2k_mm.mod input_constants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_subsys.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_subsys.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cell_types.mod cp_units.mod input_cp2k_colvar.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod physcon.mod input_cp2k_mm.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_subsys.F input_cp2k_subsys.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_subsys.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_subsys.mod' due to: input_cp2k_subsys.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_subsys.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod input_cp2k_colvar.mod base_hooks.mod input_cp2k_mm.mod input_constants.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_motion_print.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_motion_print.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod string_utilities.mod cp_output_handling.mod input_cp2k_subsys.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_motion_print.F input_cp2k_motion_print.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_motion_print.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_motion_print.mod' due to: input_cp2k_motion_print.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_motion_print.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod string_utilities.mod cp_output_handling.mod input_cp2k_subsys.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_loc.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_loc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_cp2k_mm.mod input_constants.mod input_cp2k_motion_print.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_loc.F input_cp2k_loc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_loc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_loc.mod' due to: input_cp2k_loc.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_loc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_cp2k_mm.mod input_constants.mod input_cp2k_motion_print.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_hfx.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_hfx.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod input_cp2k_loc.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_hfx.F input_cp2k_hfx.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_hfx.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_hfx.mod' due to: input_cp2k_hfx.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_hfx.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod input_cp2k_loc.mod cp_output_handling.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_mp2.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_mp2.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod cp_eri_mme_interface.mod input_cp2k_hfx.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_mp2.F input_cp2k_mp2.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_mp2.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_mp2.mod' due to: input_cp2k_mp2.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_mp2.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod cp_eri_mme_interface.mod input_cp2k_hfx.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_subsys.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_subsys.mod' due to: input_cp2k_subsys.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_subsys.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cell_types.mod cp_units.mod input_cp2k_colvar.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod physcon.mod input_cp2k_mm.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_input_constants.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_input_constants.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_input_constants.F xc_input_constants.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_input_constants.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_input_constants.mod' due to: xc_input_constants.o /build/reproducible-path/cp2k-8.1/src/xc/xc_input_constants.F -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_xc.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_xc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_mp2.mod input_cp2k_hfx.mod string_utilities.mod cp_output_handling.mod xc_input_constants.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_xc.F input_cp2k_xc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_xc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_xc.mod' due to: input_cp2k_xc.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_xc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_mp2.mod input_cp2k_hfx.mod string_utilities.mod cp_output_handling.mod xc_input_constants.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_ec.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_ec.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod input_cp2k_xc.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_ec.F input_cp2k_ec.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_ec.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_ec.mod' due to: input_cp2k_ec.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_ec.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod input_cp2k_xc.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_distribution.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_distribution.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod string_utilities.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_distribution.F input_cp2k_distribution.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_distribution.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_distribution.mod' due to: input_cp2k_distribution.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_distribution.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod string_utilities.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_external.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_external.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_external.F input_cp2k_external.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_external.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_external.mod' due to: input_cp2k_external.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_external.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_dft.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_dft.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_density_mixing_types.mod qs_mom_types.mod input_section_types.mod input_val_types.mod input_keyword_types.mod basis_set_types.mod kinds.mod input_cp2k_rsgrid.mod string_utilities.mod input_cp2k_ls.mod bibliography.mod cp_output_handling.mod input_cp2k_field.mod base_hooks.mod input_cp2k_mm.mod input_cp2k_poisson.mod input_cp2k_kpoints.mod input_cp2k_transport.mod cp_spline_utils.mod qs_fb_input.mod input_cp2k_almo.mod input_cp2k_tb.mod input_cp2k_ec.mod input_constants.mod input_cp2k_distribution.mod pw_grids.mod cp_units.mod pw_spline_utils.mod input_cp2k_xc.mod input_cp2k_motion_print.mod input_cp2k_external.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_dft.F input_cp2k_dft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_dft.F90 -/build/reproducible-path/cp2k-8.1/src/input_cp2k_dft.F:6455:34: - - 6455 | SUBROUTINE create_rigpw_section(section) - | ^ -Warning: 'create_rigpw_section' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_dft.mod' due to: input_cp2k_dft.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_dft.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_density_mixing_types.mod qs_mom_types.mod input_section_types.mod input_val_types.mod input_keyword_types.mod basis_set_types.mod kinds.mod input_cp2k_rsgrid.mod string_utilities.mod input_cp2k_ls.mod bibliography.mod cp_output_handling.mod input_cp2k_field.mod base_hooks.mod input_cp2k_mm.mod input_cp2k_poisson.mod input_cp2k_kpoints.mod input_cp2k_transport.mod cp_spline_utils.mod qs_fb_input.mod input_cp2k_almo.mod input_cp2k_tb.mod input_cp2k_ec.mod input_constants.mod input_cp2k_distribution.mod pw_grids.mod cp_units.mod pw_spline_utils.mod input_cp2k_xc.mod input_cp2k_motion_print.mod input_cp2k_external.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cell_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/cell_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_para_types.mod cp_parser_types.mod input_keyword_types.mod cell_types.mod cp_units.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_parser_methods.mod mathlib.mod input_cp2k_subsys.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cell_methods.F cell_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cell_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cell_methods.mod' due to: cell_methods.o /build/reproducible-path/cp2k-8.1/src/cell_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_para_types.mod cp_parser_types.mod input_keyword_types.mod cell_types.mod cp_units.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_parser_methods.mod mathlib.mod input_cp2k_subsys.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'scf_control_types.o' due to: /build/reproducible-path/cp2k-8.1/src/scf_control_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod outer_scf_control_types.mod qs_ot_types.mod qs_cdft_opt_types.mod input_keyword_types.mod kinds.mod cp_output_handling.mod cp_units.mod input_cp2k_dft.mod cp_log_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/scf_control_types.F scf_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' scf_control_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'scf_control_types.mod' due to: scf_control_types.o /build/reproducible-path/cp2k-8.1/src/scf_control_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod outer_scf_control_types.mod qs_ot_types.mod qs_cdft_opt_types.mod input_keyword_types.mod kinds.mod cp_output_handling.mod cp_units.mod input_cp2k_dft.mod cp_log_handling.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_ddapc_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_ddapc_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod cp_para_types.mod particle_types.mod cell_types.mod mathconstants.mod kinds.mod message_passing.mod pw_spline_utils.mod cp_log_handling.mod base_hooks.mod input_constants.mod kahan_sum.mod mathlib.mod spherical_harmonics.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_ddapc_methods.F cp_ddapc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_ddapc_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_ddapc_methods.mod' due to: cp_ddapc_methods.o /build/reproducible-path/cp2k-8.1/src/cp_ddapc_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod cp_para_types.mod particle_types.mod cell_types.mod mathconstants.mod kinds.mod message_passing.mod pw_spline_utils.mod cp_log_handling.mod base_hooks.mod input_constants.mod kahan_sum.mod mathlib.mod spherical_harmonics.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_fm_pool_types.mod qs_loc_types.mod cp_fm_types.mod scf_control_types.mod basis_set_types.mod kinds.mod cp_array_utils.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_env_types.F xas_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:01:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_env_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_env_types.mod' due to: xas_env_types.o /build/reproducible-path/cp2k-8.1/src/xas_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_fm_pool_types.mod qs_loc_types.mod cp_fm_types.mod scf_control_types.mod basis_set_types.mod kinds.mod cp_array_utils.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_ddapc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_ddapc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod pw_poisson_types.mod cell_types.mod ewald_spline_util.mod mathconstants.mod pw_grids.mod kinds.mod cp_log_handling.mod base_hooks.mod cell_methods.mod cp_ddapc_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_ddapc_types.F cp_ddapc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_ddapc_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_ddapc_types.mod' due to: cp_ddapc_types.o /build/reproducible-path/cp2k-8.1/src/cp_ddapc_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod pw_poisson_types.mod cell_types.mod ewald_spline_util.mod mathconstants.mod pw_grids.mod kinds.mod cp_log_handling.mod base_hooks.mod cell_methods.mod cp_ddapc_methods.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tensors_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tensors_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod cp_para_types.mod particle_types.mod basis_set_types.mod cp_para_env.mod cp_blacs_env.mod cp_array_utils.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tensors_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tensors_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod distribution_2d_types.mod atomic_kind_types.mod cp_para_types.mod particle_types.mod qs_neighbor_list_types.mod cp_para_env.mod base_hooks.mod cp_array_utils.mod message_passing.mod cp_blacs_env.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tensors_types.F qs_tensors_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tensors_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tensors_types.mod' due to: qs_tensors_types.o /build/reproducible-path/cp2k-8.1/src/qs_tensors_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod cp_para_types.mod particle_types.mod basis_set_types.mod cp_para_env.mod cp_blacs_env.mod cp_array_utils.mod message_passing.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tensors_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tensors_types.mod' due to: qs_tensors_types.o /build/reproducible-path/cp2k-8.1/src/qs_tensors_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod distribution_2d_types.mod atomic_kind_types.mod cp_para_types.mod particle_types.mod qs_neighbor_list_types.mod cp_para_env.mod base_hooks.mod cp_array_utils.mod message_passing.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_helpers.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_helpers.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_helpers.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_helpers.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_helpers.F hfx_helpers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_helpers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_helpers.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_helpers.mod' due to: hfx_helpers.o /build/reproducible-path/cp2k-8.1/src/hfx_helpers.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_ff_fist.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_ff_fist.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_ff_fist.F qmmm_ff_fist.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_ff_fist.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_ff_fist.mod' due to: qmmm_ff_fist.o /build/reproducible-path/cp2k-8.1/src/qmmm_ff_fist.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'particle_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/particle_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod particle_types.mod shell_potential_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod cp_log_handling.mod util.mod cp_units.mod mathlib.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod physcon.mod string_utilities.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/particle_methods.F particle_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' particle_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'particle_methods.mod' due to: particle_methods.o /build/reproducible-path/cp2k-8.1/src/particle_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod particle_types.mod shell_potential_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod cp_log_handling.mod util.mod cp_units.mod mathlib.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod physcon.mod string_utilities.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'libint_wrapper.o' due to: /build/reproducible-path/cp2k-8.1/src/libint_wrapper.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/libint_wrapper.F libint_wrapper.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' libint_wrapper.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'libint_wrapper.mod' due to: libint_wrapper.o /build/reproducible-path/cp2k-8.1/src/libint_wrapper.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod orbital_pointers.mod +true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'aux_basis_set.mod' due to: aux_basis_set.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'auto_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/auto_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod kinds.mod bibliography.mod powell.mod periodic_table.mod base_hooks.mod mathconstants.mod aux_basis_set.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'auto_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/auto_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod mathconstants.mod periodic_table.mod powell.mod kinds.mod base_hooks.mod aux_basis_set.mod bibliography.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/auto_basis.F auto_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' auto_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' auto_basis.F90 /build/reproducible-path/cp2k-8.1/src/auto_basis.F:230:73: 230 | INTEGER :: i, j, l, laux, linc, lm, lmax, lval, n1, & | ^ Warning: 'laux' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'auto_basis.mod' due to: auto_basis.o /build/reproducible-path/cp2k-8.1/src/auto_basis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod kinds.mod bibliography.mod powell.mod periodic_table.mod base_hooks.mod mathconstants.mod aux_basis_set.mod orbital_pointers.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'libint_wrapper.o' due to: /build/reproducible-path/cp2k-8.1/src/libint_wrapper.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/libint_wrapper.F libint_wrapper.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' libint_wrapper.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'libint_wrapper.mod' due to: libint_wrapper.o /build/reproducible-path/cp2k-8.1/src/libint_wrapper.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'auto_basis.mod' due to: auto_basis.o /build/reproducible-path/cp2k-8.1/src/auto_basis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod mathconstants.mod periodic_table.mod powell.mod kinds.mod base_hooks.mod aux_basis_set.mod bibliography.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'libint_2c_3c.o' due to: /build/reproducible-path/cp2k-8.1/src/libint_2c_3c.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod libint_wrapper.mod base_hooks.mod mathconstants.mod orbital_pointers.mod input_constants.mod gamma.mod t_c_g0.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/libint_2c_3c.F libint_2c_3c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' libint_2c_3c.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'libint_2c_3c.mod' due to: libint_2c_3c.o /build/reproducible-path/cp2k-8.1/src/libint_2c_3c.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod libint_wrapper.mod base_hooks.mod mathconstants.mod orbital_pointers.mod input_constants.mod gamma.mod t_c_g0.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_motion_print.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_motion_print.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod string_utilities.mod base_hooks.mod input_constants.mod input_cp2k_subsys.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_motion_print.F input_cp2k_motion_print.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_motion_print.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_motion_print.mod' due to: input_cp2k_motion_print.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_motion_print.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod string_utilities.mod base_hooks.mod input_constants.mod input_cp2k_subsys.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_ff_fist.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_ff_fist.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_ff_fist.F qmmm_ff_fist.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_ff_fist.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_ff_fist.mod' due to: qmmm_ff_fist.o /build/reproducible-path/cp2k-8.1/src/qmmm_ff_fist.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_loc.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_loc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod input_cp2k_motion_print.mod base_hooks.mod input_constants.mod bibliography.mod input_cp2k_mm.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_loc.F input_cp2k_loc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_loc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_loc.mod' due to: input_cp2k_loc.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_loc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod input_cp2k_motion_print.mod base_hooks.mod input_constants.mod bibliography.mod input_cp2k_mm.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'particle_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/particle_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod shell_potential_types.mod qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod basis_set_types.mod kinds.mod string_utilities.mod util.mod cp_output_handling.mod base_hooks.mod mathconstants.mod qmmm_ff_fist.mod physcon.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_units.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/particle_methods.F particle_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' particle_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'particle_methods.mod' due to: particle_methods.o /build/reproducible-path/cp2k-8.1/src/particle_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod shell_potential_types.mod qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod basis_set_types.mod kinds.mod string_utilities.mod util.mod cp_output_handling.mod base_hooks.mod mathconstants.mod qmmm_ff_fist.mod physcon.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_units.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_hfx.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_hfx.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod input_cp2k_loc.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_hfx.F input_cp2k_hfx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_hfx.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_hfx.mod' due to: input_cp2k_hfx.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_hfx.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod input_cp2k_loc.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_interactions.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_interactions.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod external_potential_types.mod cp_control_types.mod qs_kind_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod ao_util.mod string_utilities.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_interactions.F qs_interactions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_interactions.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_interactions.mod' due to: qs_interactions.o /build/reproducible-path/cp2k-8.1/src/qs_interactions.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod external_potential_types.mod cp_control_types.mod qs_kind_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod ao_util.mod string_utilities.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'libint_2c_3c.o' due to: /build/reproducible-path/cp2k-8.1/src/libint_2c_3c.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod t_c_g0.mod kinds.mod gamma.mod base_hooks.mod input_constants.mod orbital_pointers.mod libint_wrapper.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/libint_2c_3c.F libint_2c_3c.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' libint_2c_3c.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'libint_2c_3c.mod' due to: libint_2c_3c.o /build/reproducible-path/cp2k-8.1/src/libint_2c_3c.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod t_c_g0.mod kinds.mod gamma.mod base_hooks.mod input_constants.mod orbital_pointers.mod libint_wrapper.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_integral_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_integral_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_integral_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_integral_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod base_hooks.mod orbital_pointers.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_integral_utils.F qs_integral_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_integral_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_integral_utils.mod' due to: qs_integral_utils.o /build/reproducible-path/cp2k-8.1/src/qs_integral_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod base_hooks.mod orbital_pointers.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_integral_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_integral_utils.mod' due to: qs_integral_utils.o /build/reproducible-path/cp2k-8.1/src/qs_integral_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod base_hooks.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_interactions.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_interactions.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod atomic_kind_types.mod external_potential_types.mod cp_control_types.mod paw_proj_set_types.mod qs_kind_types.mod cp_units.mod kinds.mod cp_log_handling.mod ao_util.mod string_utilities.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_interactions.F qs_interactions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_interactions.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_interactions.mod' due to: qs_interactions.o /build/reproducible-path/cp2k-8.1/src/qs_interactions.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod atomic_kind_types.mod external_potential_types.mod cp_control_types.mod paw_proj_set_types.mod qs_kind_types.mod cp_units.mod kinds.mod cp_log_handling.mod ao_util.mod string_utilities.mod base_hooks.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_types.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_container_types.mod qs_kind_types.mod particle_types.mod qs_tensors_types.mod cp_control_types.mod input_section_types.mod qs_loc_types.mod cell_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod string_utilities.mod hfx_helpers.mod auto_basis.mod orbital_pointers.mod bibliography.mod cp_files.mod cp_output_handling.mod base_hooks.mod machine.mod t_c_g0.mod libint_2c_3c.mod particle_methods.mod input_cp2k_hfx.mod qs_interactions.mod cp_log_handling.mod input_constants.mod libint_wrapper.mod qs_integral_utils.mod cp_units.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_types.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod basis_set_container_types.mod qs_tensors_types.mod cell_types.mod cp_log_handling.mod message_passing.mod cp_units.mod hfx_helpers.mod mathlib.mod bibliography.mod orbital_pointers.mod particle_methods.mod cp_output_handling.mod libint_wrapper.mod machine.mod t_c_g0.mod kinds.mod base_hooks.mod auto_basis.mod input_cp2k_hfx.mod cp_files.mod string_utilities.mod libint_2c_3c.mod qs_integral_utils.mod input_constants.mod qs_interactions.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_types.F hfx_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_types.mod' due to: hfx_types.o /build/reproducible-path/cp2k-8.1/src/hfx_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_container_types.mod qs_kind_types.mod particle_types.mod qs_tensors_types.mod cp_control_types.mod input_section_types.mod qs_loc_types.mod cell_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod string_utilities.mod hfx_helpers.mod auto_basis.mod orbital_pointers.mod bibliography.mod cp_files.mod cp_output_handling.mod base_hooks.mod machine.mod t_c_g0.mod libint_2c_3c.mod particle_methods.mod input_cp2k_hfx.mod qs_interactions.mod cp_log_handling.mod input_constants.mod libint_wrapper.mod qs_integral_utils.mod cp_units.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_types.mod' due to: hfx_types.o /build/reproducible-path/cp2k-8.1/src/hfx_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod basis_set_container_types.mod qs_tensors_types.mod cell_types.mod cp_log_handling.mod message_passing.mod cp_units.mod hfx_helpers.mod mathlib.mod bibliography.mod orbital_pointers.mod particle_methods.mod cp_output_handling.mod libint_wrapper.mod machine.mod t_c_g0.mod kinds.mod base_hooks.mod auto_basis.mod input_cp2k_hfx.mod cp_files.mod string_utilities.mod libint_2c_3c.mod qs_integral_utils.mod input_constants.mod qs_interactions.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_compression_core_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_compression_core_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F hfx_compression_core_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:02:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_compression_core_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:13:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_compression_core_methods.F90 /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F:67:23: 67 | SUBROUTINE ints2ints(Ndata, packed_data, full_data) @@ -5364,297 +5274,502 @@ Warning: 'ints2ints' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_compression_core_methods.mod' due to: hfx_compression_core_methods.o /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_compression_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_compression_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod kinds.mod cp_files.mod hfx_compression_core_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_compression_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_compression_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_files.mod kinds.mod base_hooks.mod hfx_compression_core_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_compression_methods.F hfx_compression_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_compression_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_compression_methods.mod' due to: hfx_compression_methods.o /build/reproducible-path/cp2k-8.1/src/hfx_compression_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod kinds.mod cp_files.mod hfx_compression_core_methods.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_compression_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_compression_methods.mod' due to: hfx_compression_methods.o /build/reproducible-path/cp2k-8.1/src/hfx_compression_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_files.mod kinds.mod base_hooks.mod hfx_compression_core_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_store_int_types.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_store_int_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod hfx_types.mod kinds.mod memory_utilities.mod base_hooks.mod hfx_compression_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_store_int_types.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_store_int_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod hfx_types.mod memory_utilities.mod kinds.mod base_hooks.mod hfx_compression_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_store_int_types.F semi_empirical_store_int_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_store_int_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_store_int_types.mod' due to: semi_empirical_store_int_types.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_store_int_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod hfx_types.mod kinds.mod memory_utilities.mod base_hooks.mod hfx_compression_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_store_int_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_store_int_types.mod' due to: semi_empirical_store_int_types.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_store_int_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod hfx_types.mod memory_utilities.mod kinds.mod base_hooks.mod hfx_compression_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hartree_local_types.o' due to: /build/reproducible-path/cp2k-8.1/src/hartree_local_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hartree_local_types.F hartree_local_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hartree_local_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hartree_local_types.mod' due to: hartree_local_types.o /build/reproducible-path/cp2k-8.1/src/hartree_local_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mscfg_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mscfg_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mscfg_types.F mscfg_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mscfg_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mscfg_types.mod' due to: mscfg_types.o /build/reproducible-path/cp2k-8.1/src/mscfg_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kpoint_types.o' due to: /build/reproducible-path/cp2k-8.1/src/kpoint_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod cp_para_types.mod cp_fm_types.mod qs_mo_types.mod kinds.mod cp_para_env.mod cp_blacs_env.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod mathconstants.mod qs_matrix_pools.mod input_cp2k_kpoints.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kpoint_types.F kpoint_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kpoint_types.F90 -/build/reproducible-path/cp2k-8.1/src/kpoint_types.F:418:29: - - 418 | SUBROUTINE set_kpoint_info(kpoint, kp_scheme, nkp_grid, kp_shift, symmetry, verbose, & - | ^ -Warning: 'set_kpoint_info' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kpoint_types.mod' due to: kpoint_types.o /build/reproducible-path/cp2k-8.1/src/kpoint_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod cp_para_types.mod cp_fm_types.mod qs_mo_types.mod kinds.mod cp_para_env.mod cp_blacs_env.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod mathconstants.mod qs_matrix_pools.mod input_cp2k_kpoints.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'integration_grid_types.o' due to: /build/reproducible-path/cp2k-8.1/src/integration_grid_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/integration_grid_types.F integration_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' integration_grid_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'integration_grid_types.mod' due to: integration_grid_types.o /build/reproducible-path/cp2k-8.1/src/integration_grid_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'admm_dm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/admm_dm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod kinds.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/admm_dm_types.F admm_dm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' admm_dm_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'admm_dm_types.mod' due to: admm_dm_types.o /build/reproducible-path/cp2k-8.1/src/admm_dm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_o3c_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_o3c_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_neighbor_list_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_o3c_types.F qs_o3c_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_o3c_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_o3c_types.mod' due to: qs_o3c_types.o /build/reproducible-path/cp2k-8.1/src/qs_o3c_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_neighbor_list_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_subsys_types.mod distribution_1d_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_neighbor_list_types.mod molecule_kind_types.mod cell_types.mod kpoint_types.mod admm_dm_types.mod molecule_types.mod cp_result_types.mod distribution_2d_types.mod cp_subsys_types.mod task_list_types.mod virial_types.mod cp_para_types.mod pw_types.mod atprop_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_para_env.mod kpoint_transitional.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_types.F qs_ks_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ks_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_types.mod' due to: qs_ks_types.o /build/reproducible-path/cp2k-8.1/src/qs_ks_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_subsys_types.mod distribution_1d_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_neighbor_list_types.mod molecule_kind_types.mod cell_types.mod kpoint_types.mod admm_dm_types.mod molecule_types.mod cp_result_types.mod distribution_2d_types.mod cp_subsys_types.mod task_list_types.mod virial_types.mod cp_para_types.mod pw_types.mod atprop_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_para_env.mod kpoint_transitional.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_o3c_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_environment_types.F lri_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_environment_types.mod' due to: lri_environment_types.o /build/reproducible-path/cp2k-8.1/src/lri_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_o3c_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod mathlib.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rel_control_types.o' due to: /build/reproducible-path/cp2k-8.1/src/rel_control_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rel_control_types.F rel_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rel_control_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rel_control_types.mod' due to: rel_control_types.o /build/reproducible-path/cp2k-8.1/src/rel_control_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kg_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/kg_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 integration_grid_types.mod input_section_types.mod molecule_types.mod lri_environment_types.mod task_list_types.mod qs_dispersion_types.mod qs_neighbor_list_types.mod kinds.mod cp_dbcsr_operations.mod qs_grid_atom.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kg_environment_types.F kg_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kg_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kg_environment_types.mod' due to: kg_environment_types.o /build/reproducible-path/cp2k-8.1/src/kg_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 integration_grid_types.mod input_section_types.mod molecule_types.mod lri_environment_types.mod task_list_types.mod qs_dispersion_types.mod qs_neighbor_list_types.mod kinds.mod cp_dbcsr_operations.mod qs_grid_atom.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'wannier_states_types.o' due to: /build/reproducible-path/cp2k-8.1/src/wannier_states_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/wannier_states_types.F wannier_states_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' wannier_states_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'wannier_states_types.mod' due to: wannier_states_types.o /build/reproducible-path/cp2k-8.1/src/wannier_states_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_moments.mod' due to: ai_moments.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gcp_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gcp_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gcp_types.F qs_gcp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_gcp_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gcp_types.mod' due to: qs_gcp_types.o /build/reproducible-path/cp2k-8.1/src/qs_gcp_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'sap_kind_types.o' due to: /build/reproducible-path/cp2k-8.1/src/sap_kind_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod external_potential_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod kinds.mod ai_moments.mod base_hooks.mod orbital_pointers.mod util.mod ai_overlap.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/sap_kind_types.F sap_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' sap_kind_types.F90 +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:76: + + 299 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a + | ^ +Warning: 'alpha_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:76: Warning: 'alpha_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:76: Warning: 'alpha_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:76: Warning: 'alpha_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:288:92: + + 288 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, & + | ^ +Warning: 'nprj_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:288:92: Warning: 'nprj_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:288:92: Warning: 'nprj_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:288:92: Warning: 'nprj_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:300:96: + + 300 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, h_nl, rpgfa, sphi_a, vprj_ppnl, & + | ^ +Warning: 'vprj_ppnl.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: 'vprj_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: 'vprj_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: 'vprj_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: 'vprj_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:82: + + 299 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a + | ^ +Warning: 'hprj.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:82: Warning: 'hprj.span' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:82: Warning: 'hprj.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:299:82: Warning: 'hprj.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:591:44: + + 591 | work(1:np, 1:nb) = MATMUL(sab(1:np, first_col:first_col + nprjc - 1), cprj(1:nprjc, 1:nb)) + | ^ +Warning: 'nprjc' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/sap_kind_types.F:285:83: + + 285 | maxsgf, na, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, nsgfa, & + | ^ +note: 'nprjc' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'sap_kind_types.mod' due to: sap_kind_types.o /build/reproducible-path/cp2k-8.1/src/sap_kind_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod external_potential_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod kinds.mod ai_moments.mod base_hooks.mod orbital_pointers.mod util.mod ai_overlap.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'integration_grid_types.o' due to: /build/reproducible-path/cp2k-8.1/src/integration_grid_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/integration_grid_types.F integration_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' integration_grid_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'integration_grid_types.mod' due to: integration_grid_types.o /build/reproducible-path/cp2k-8.1/src/integration_grid_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'block_p_types.o' due to: /build/reproducible-path/cp2k-8.1/src/block_p_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/block_p_types.F block_p_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' block_p_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'block_p_types.mod' due to: block_p_types.o /build/reproducible-path/cp2k-8.1/src/block_p_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kg_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/kg_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 integration_grid_types.mod qs_dispersion_types.mod input_section_types.mod qs_neighbor_list_types.mod task_list_types.mod lri_environment_types.mod molecule_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kg_environment_types.F kg_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kg_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kg_environment_types.mod' due to: kg_environment_types.o /build/reproducible-path/cp2k-8.1/src/kg_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 integration_grid_types.mod qs_dispersion_types.mod input_section_types.mod qs_neighbor_list_types.mod task_list_types.mod lri_environment_types.mod molecule_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_oce_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_oce_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 sap_kind_types.mod block_p_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_oce_types.F qs_oce_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_oce_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_oce_types.mod' due to: qs_oce_types.o /build/reproducible-path/cp2k-8.1/src/qs_oce_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 sap_kind_types.mod block_p_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod hfx_types.mod kinds.mod libint_2c_3c.mod cp_eri_mme_interface.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_types.F mp2_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_types.mod' due to: mp2_types.o /build/reproducible-path/cp2k-8.1/src/mp2_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod hfx_types.mod kinds.mod libint_2c_3c.mod cp_eri_mme_interface.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'admm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/admm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_oce_types.mod cp_control_types.mod cp_para_types.mod qs_kind_types.mod qs_mo_types.mod task_list_types.mod qs_local_rho_types.mod cp_fm_struct.mod kinds.mod base_hooks.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/admm_types.F admm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' admm_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'admm_types.mod' due to: admm_types.o /build/reproducible-path/cp2k-8.1/src/admm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_oce_types.mod cp_control_types.mod cp_para_types.mod qs_kind_types.mod qs_mo_types.mod task_list_types.mod qs_local_rho_types.mod cp_fm_struct.mod kinds.mod base_hooks.mod input_constants.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gaussian_gridlevels.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_env/gaussian_gridlevels.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_env/gaussian_gridlevels.F gaussian_gridlevels.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw_env/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gaussian_gridlevels.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gaussian_gridlevels.mod' due to: gaussian_gridlevels.o /build/reproducible-path/cp2k-8.1/src/pw_env/gaussian_gridlevels.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_env/pw_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_pool_types.mod pw_poisson_types.mod realspace_grid_types.mod cube_utils.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_env/pw_env_types.F pw_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw_env/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_env_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_env_types.mod' due to: pw_env_types.o /build/reproducible-path/cp2k-8.1/src/pw_env/pw_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_pool_types.mod pw_poisson_types.mod realspace_grid_types.mod cube_utils.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation_types.o' due to: /build/reproducible-path/cp2k-8.1/src/rt_propagation_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod cp_fm_pool_types.mod qs_mo_types.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod cp_log_handling.mod cp_fm_vect.mod base_hooks.mod bibliography.mod qs_matrix_pools.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rt_propagation_types.F rt_propagation_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation_types.mod' due to: rt_propagation_types.o /build/reproducible-path/cp2k-8.1/src/rt_propagation_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod cp_fm_pool_types.mod qs_mo_types.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod cp_log_handling.mod cp_fm_vect.mod base_hooks.mod bibliography.mod qs_matrix_pools.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'domain_submatrix_types.o' due to: /build/reproducible-path/cp2k-8.1/src/domain_submatrix_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'domain_submatrix_types.o' due to: /build/reproducible-path/cp2k-8.1/src/domain_submatrix_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/domain_submatrix_types.F domain_submatrix_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' domain_submatrix_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' domain_submatrix_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'domain_submatrix_types.mod' due to: domain_submatrix_types.o /build/reproducible-path/cp2k-8.1/src/domain_submatrix_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_types.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod cp_para_types.mod kinds.mod cp_blacs_env.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_types.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod domain_submatrix_types.mod kinds.mod base_hooks.mod input_constants.mod cp_blacs_env.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_types.F almo_scf_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' almo_scf_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_types.mod' due to: almo_scf_types.o /build/reproducible-path/cp2k-8.1/src/almo_scf_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod cp_para_types.mod kinds.mod cp_blacs_env.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_types.mod' due to: almo_scf_types.o /build/reproducible-path/cp2k-8.1/src/almo_scf_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod domain_submatrix_types.mod kinds.mod base_hooks.mod input_constants.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'global_types.o' due to: /build/reproducible-path/cp2k-8.1/src/global_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod kinds.mod cp_blacs_env.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/global_types.F global_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' global_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'global_types.mod' due to: global_types.o /build/reproducible-path/cp2k-8.1/src/global_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod kinds.mod cp_blacs_env.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rel_control_types.o' due to: /build/reproducible-path/cp2k-8.1/src/rel_control_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rel_control_types.F rel_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rel_control_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rel_control_types.mod' due to: rel_control_types.o /build/reproducible-path/cp2k-8.1/src/rel_control_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_qmmm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod pw_env_types.mod cube_utils.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_types.F qs_ks_qmmm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_qmmm_types.mod' due to: qs_ks_qmmm_types.o /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod pw_env_types.mod cube_utils.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mom_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mom_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mom_types.F qs_mom_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mom_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mom_types.mod' due to: qs_mom_types.o /build/reproducible-path/cp2k-8.1/src/qs_mom_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_rho_cflags_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_cflags_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_cflags_types.F xc_rho_cflags_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_rho_cflags_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_rho_cflags_types.mod' due to: xc_rho_cflags_types.o /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_cflags_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_external.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_external.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_external.F input_cp2k_external.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_external.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_external.mod' due to: input_cp2k_external.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_external.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_rho_set_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_set_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod xc_rho_cflags_types.mod kinds.mod cp_array_utils.mod pw_spline_utils.mod pw_methods.mod xc_input_constants.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_rho_set_types.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_rho_set_types.F:163:31: - - 163 | SUBROUTINE xc_rho_set_retain(rho_set) - | ^ -Warning: 'xc_rho_set_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_rho_set_types.mod' due to: xc_rho_set_types.o /build/reproducible-path/cp2k-8.1/src/xc/xc_rho_set_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod xc_rho_cflags_types.mod kinds.mod cp_array_utils.mod pw_spline_utils.mod pw_methods.mod xc_input_constants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_mp2.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_mp2.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_eri_mme_interface.mod cp_units.mod input_cp2k_hfx.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_mp2.F input_cp2k_mp2.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_mp2.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_mp2.mod' due to: input_cp2k_mp2.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_mp2.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_eri_mme_interface.mod cp_units.mod input_cp2k_hfx.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_derivative_desc.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_desc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_desc.F xc_derivative_desc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_derivative_desc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_derivative_desc.mod' due to: xc_derivative_desc.o /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_desc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_xc.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_xc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod input_cp2k_hfx.mod input_cp2k_mp2.mod kinds.mod string_utilities.mod xc_input_constants.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_xc.F input_cp2k_xc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_xc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_xc.mod' due to: input_cp2k_xc.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_xc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod input_cp2k_hfx.mod input_cp2k_mp2.mod kinds.mod string_utilities.mod xc_input_constants.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_derivative_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod kinds.mod base_hooks.mod xc_derivative_desc.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_types.F xc_derivative_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_derivative_types.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_types.F:92:34: - - 92 | SUBROUTINE xc_derivative_retain(deriv) - | ^ -Warning: 'xc_derivative_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_derivative_types.mod' due to: xc_derivative_types.o /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod kinds.mod base_hooks.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_ec.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_ec.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_xc.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_ec.F input_cp2k_ec.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_ec.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_ec.mod' due to: input_cp2k_ec.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_ec.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_xc.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_linked_list_xc_deriv.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp xc_derivative_types.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F cp_linked_list_xc_deriv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_linked_list_xc_deriv.F90 -/build/reproducible-path/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F:47:3: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_almo.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_almo.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_almo.F input_cp2k_almo.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_almo.F90 +/build/reproducible-path/cp2k-8.1/src/input_cp2k_almo.F:684:55: - 47 | $:inst(nametype1, type1, type1in, type1out, eq, arrayeq, type1arrayEl, arrayEl, private_routines) - | ^ -Warning: 'cp_sll_deriv_less_q' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_linked_list_xc_deriv.mod' due to: cp_linked_list_xc_deriv.o /build/reproducible-path/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/cp_linked_list.fypp xc_derivative_types.mod base_hooks.mod + 684 | optimizer_type .EQ. optimizer_lin_eq_pcg .OR. & + | ^ +Warning: 'optimizer_type' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_almo.mod' due to: input_cp2k_almo.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_almo.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_derivative_set_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_set_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod xc_derivative_types.mod pw_pool_types.mod kinds.mod message_passing.mod cp_linked_list_xc_deriv.mod pw_grids.mod xc_derivative_desc.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_set_types.F xc_derivative_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_derivative_set_types.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_set_types.F:187:28: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_input.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod pao_types.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod bibliography.mod cp_output_handling.mod linesearch.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_input.F pao_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_input.F90 +/build/reproducible-path/cp2k-8.1/src/pao_input.F:232:31: - 187 | SUBROUTINE xc_dset_retain(deriv_set) - | ^ -Warning: 'xc_dset_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_derivative_set_types.mod' due to: xc_derivative_set_types.o /build/reproducible-path/cp2k-8.1/src/xc/xc_derivative_set_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod xc_derivative_types.mod pw_pool_types.mod kinds.mod message_passing.mod cp_linked_list_xc_deriv.mod pw_grids.mod xc_derivative_desc.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_kpp1_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_rho_set_types.mod pw_types.mod xc_derivative_set_types.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_kpp1_env_types.F90 -/build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_types.F:156:25: + 232 | s = "GAUSSIAN_PROCESS" + | 1 +Warning: CHARACTER expression will be truncated in assignment (10/16) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/pao_input.F:234:29: - 156 | SUBROUTINE kpp1_retain(kpp1_env) - | ^ -Warning: 'kpp1_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_kpp1_env_types.mod' due to: qs_kpp1_env_types.o /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_rho_set_types.mod pw_types.mod xc_derivative_set_types.mod base_hooks.mod + 234 | s = "NEURAL_NETWORK" + | 1 +Warning: CHARACTER expression will be truncated in assignment (10/14) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_input.mod' due to: pao_input.o /build/reproducible-path/cp2k-8.1/src/pao_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod pao_types.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod bibliography.mod cp_output_handling.mod linesearch.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_p_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_p_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 hartree_local_types.mod qs_kpp1_env_types.mod cp_fm_types.mod preconditioner_types.mod qs_local_rho_types.mod qs_rho_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_vect.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_p_env_types.F qs_p_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_p_env_types.F90 -/build/reproducible-path/cp2k-8.1/src/qs_p_env_types.F:115:26: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_ls.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_ls.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod qs_density_mixing_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod pao_input.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_ls.F input_cp2k_ls.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_ls.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_ls.mod' due to: input_cp2k_ls.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_ls.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod qs_density_mixing_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod pao_input.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_tb.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_tb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod input_cp2k_mm.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_tb.F input_cp2k_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_tb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_tb.mod' due to: input_cp2k_tb.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_tb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod input_cp2k_mm.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_input.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod kinds.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_input.F qs_fb_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_input.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_input.mod' due to: qs_fb_input.o /build/reproducible-path/cp2k-8.1/src/qs_fb_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod kinds.mod base_hooks.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_spline_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_env/cp_spline_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod pw_pool_types.mod kinds.mod pw_spline_utils.mod base_hooks.mod pw_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_env/cp_spline_utils.F cp_spline_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw_env/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_spline_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_spline_utils.mod' due to: cp_spline_utils.o /build/reproducible-path/cp2k-8.1/src/pw_env/cp_spline_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod pw_pool_types.mod kinds.mod pw_spline_utils.mod base_hooks.mod pw_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_distribution.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_distribution.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod string_utilities.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_distribution.F input_cp2k_distribution.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_distribution.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_distribution.mod' due to: input_cp2k_distribution.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_distribution.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod string_utilities.mod base_hooks.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_transport.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_transport.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_transport.F input_cp2k_transport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_transport.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_transport.mod' due to: input_cp2k_transport.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_transport.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_dft.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_dft.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_mom_types.mod input_val_types.mod input_keyword_types.mod basis_set_types.mod qs_density_mixing_types.mod pw_grids.mod input_cp2k_external.mod input_cp2k_ec.mod input_cp2k_almo.mod cp_units.mod input_cp2k_kpoints.mod input_cp2k_motion_print.mod input_cp2k_field.mod input_cp2k_rsgrid.mod bibliography.mod input_cp2k_mm.mod input_cp2k_ls.mod cp_output_handling.mod input_cp2k_xc.mod kinds.mod base_hooks.mod input_cp2k_tb.mod qs_fb_input.mod input_cp2k_poisson.mod cp_spline_utils.mod input_cp2k_distribution.mod string_utilities.mod pw_spline_utils.mod input_cp2k_transport.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_dft.F input_cp2k_dft.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:14:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_dft.F90 +/build/reproducible-path/cp2k-8.1/src/input_cp2k_dft.F:6455:34: - 115 | SUBROUTINE p_env_retain(p_env) - | ^ -Warning: 'p_env_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_p_env_types.mod' due to: qs_p_env_types.o /build/reproducible-path/cp2k-8.1/src/qs_p_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 hartree_local_types.mod qs_kpp1_env_types.mod cp_fm_types.mod preconditioner_types.mod qs_local_rho_types.mod qs_rho_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_vect.mod + 6455 | SUBROUTINE create_rigpw_section(section) + | ^ +Warning: 'create_rigpw_section' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_dft.mod' due to: input_cp2k_dft.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_dft.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_mom_types.mod input_val_types.mod input_keyword_types.mod basis_set_types.mod qs_density_mixing_types.mod pw_grids.mod input_cp2k_external.mod input_cp2k_ec.mod input_cp2k_almo.mod cp_units.mod input_cp2k_kpoints.mod input_cp2k_motion_print.mod input_cp2k_field.mod input_cp2k_rsgrid.mod bibliography.mod input_cp2k_mm.mod input_cp2k_ls.mod cp_output_handling.mod input_cp2k_xc.mod kinds.mod base_hooks.mod input_cp2k_tb.mod qs_fb_input.mod input_cp2k_poisson.mod cp_spline_utils.mod input_cp2k_distribution.mod string_utilities.mod pw_spline_utils.mod input_cp2k_transport.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ec_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/ec_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_dispersion_types.mod qs_force_types.mod input_section_types.mod qs_neighbor_list_types.mod task_list_types.mod pw_types.mod cp_fm_types.mod qs_period_efield_types.mod qs_p_env_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ec_env_types.F ec_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ec_env_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ec_env_types.mod' due to: ec_env_types.o /build/reproducible-path/cp2k-8.1/src/ec_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_dispersion_types.mod qs_force_types.mod input_section_types.mod qs_neighbor_list_types.mod task_list_types.mod pw_types.mod cp_fm_types.mod qs_period_efield_types.mod qs_p_env_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'scf_control_types.o' due to: /build/reproducible-path/cp2k-8.1/src/scf_control_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod qs_cdft_opt_types.mod input_keyword_types.mod outer_scf_control_types.mod qs_ot_types.mod cp_units.mod input_cp2k_dft.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/scf_control_types.F scf_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' scf_control_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'scf_control_types.mod' due to: scf_control_types.o /build/reproducible-path/cp2k-8.1/src/scf_control_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod qs_cdft_opt_types.mod input_keyword_types.mod outer_scf_control_types.mod qs_ot_types.mod cp_units.mod input_cp2k_dft.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewald_spline_util.o' due to: /build/reproducible-path/cp2k-8.1/src/ewald_spline_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod input_section_types.mod cp_para_types.mod pw_types.mod cell_types.mod kinds.mod message_passing.mod pw_grids.mod cp_output_handling.mod pw_methods.mod cp_log_handling.mod pw_spline_utils.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewald_spline_util.F ewald_spline_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ewald_spline_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewald_spline_util.mod' due to: ewald_spline_util.o /build/reproducible-path/cp2k-8.1/src/ewald_spline_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod input_section_types.mod cp_para_types.mod pw_types.mod cell_types.mod kinds.mod message_passing.mod pw_grids.mod cp_output_handling.mod pw_methods.mod cp_log_handling.mod pw_spline_utils.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod cp_fm_types.mod qs_scf_types.mod cp_fm_pool_types.mod scf_control_types.mod qs_loc_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_env_types.F xas_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_env_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_env_types.mod' due to: xas_env_types.o /build/reproducible-path/cp2k-8.1/src/xas_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod cp_fm_types.mod qs_scf_types.mod cp_fm_pool_types.mod scf_control_types.mod qs_loc_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cell_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/cell_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_parser_types.mod cp_para_types.mod cell_types.mod input_keyword_types.mod kinds.mod cp_parser_methods.mod cp_output_handling.mod cp_units.mod input_cp2k_subsys.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cell_methods.F cell_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cell_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cell_methods.mod' due to: cell_methods.o /build/reproducible-path/cp2k-8.1/src/cell_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_parser_types.mod cp_para_types.mod cell_types.mod input_keyword_types.mod kinds.mod cp_parser_methods.mod cp_output_handling.mod cp_units.mod input_cp2k_subsys.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_charges_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_charges_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_charges_types.F qs_charges_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_charges_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_charges_types.mod' due to: qs_charges_types.o /build/reproducible-path/cp2k-8.1/src/qs_charges_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_ddapc_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_ddapc_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod particle_types.mod pw_types.mod cell_types.mod kinds.mod kahan_sum.mod message_passing.mod pw_spline_utils.mod cp_log_handling.mod base_hooks.mod mathconstants.mod spherical_harmonics.mod input_constants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_ddapc_methods.F cp_ddapc_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_ddapc_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_ddapc_methods.mod' due to: cp_ddapc_methods.o /build/reproducible-path/cp2k-8.1/src/cp_ddapc_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod particle_types.mod pw_types.mod cell_types.mod kinds.mod kahan_sum.mod message_passing.mod pw_spline_utils.mod cp_log_handling.mod base_hooks.mod mathconstants.mod spherical_harmonics.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'admm_dm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/admm_dm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/admm_dm_types.F admm_dm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' admm_dm_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'admm_dm_types.mod' due to: admm_dm_types.o /build/reproducible-path/cp2k-8.1/src/admm_dm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_ddapc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_ddapc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod input_section_types.mod cp_para_types.mod particle_types.mod pw_types.mod cell_types.mod pw_poisson_types.mod kinds.mod ewald_spline_util.mod pw_grids.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod mathconstants.mod cell_methods.mod cp_ddapc_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_ddapc_types.F cp_ddapc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_ddapc_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_ddapc_types.mod' due to: cp_ddapc_types.o /build/reproducible-path/cp2k-8.1/src/cp_ddapc_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod input_section_types.mod cp_para_types.mod particle_types.mod pw_types.mod cell_types.mod pw_poisson_types.mod kinds.mod ewald_spline_util.mod pw_grids.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod mathconstants.mod cell_methods.mod cp_ddapc_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_wf_history_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_wf_history_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod pw_types.mod qs_rho_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_wf_history_types.F qs_wf_history_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_wf_history_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_wf_history_types.mod' due to: qs_wf_history_types.o /build/reproducible-path/cp2k-8.1/src/qs_wf_history_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod pw_types.mod qs_rho_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod et_coupling_types.mod qs_energy_types.mod qs_force_types.mod qs_linres_types.mod qs_subsys_types.mod dm_ls_scf_types.mod rt_propagation_types.mod transport_env_types.mod qs_active_space_types.mod mscfg_types.mod distribution_1d_types.mod ewald_pw_types.mod pw_env_types.mod qs_kind_types.mod qs_period_efield_types.mod admm_types.mod xas_env_types.mod qs_rho_types.mod qs_dispersion_types.mod semi_empirical_store_int_types.mod hartree_local_types.mod qs_ks_types.mod particle_types.mod rel_control_types.mod cp_control_types.mod wannier_states_types.mod semi_empirical_mpole_types.mod qmmm_types_low.mod qs_gcp_types.mod kg_environment_types.mod qs_rho_atom_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_rho0_types.mod molecule_kind_types.mod mp2_types.mod cell_types.mod ewald_environment_types.mod kpoint_types.mod admm_dm_types.mod cp_fm_types.mod almo_scf_types.mod qs_oce_types.mod cp_result_types.mod global_types.mod molecule_types.mod qs_mo_types.mod qs_wf_history_types.mod scf_control_types.mod distribution_2d_types.mod cp_subsys_types.mod qs_ks_qmmm_types.mod task_list_types.mod virial_types.mod ec_env_types.mod cp_para_types.mod pw_types.mod semi_empirical_types.mod cp_ddapc_types.mod qs_dftb_types.mod fist_nonbond_env_types.mod lri_environment_types.mod atprop_types.mod hfx_types.mod qs_local_rho_types.mod kinds.mod cp_blacs_env.mod base_hooks.mod qs_matrix_pools.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_environment_types.F qs_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_environment_types.mod' due to: qs_environment_types.o /build/reproducible-path/cp2k-8.1/src/qs_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod et_coupling_types.mod qs_energy_types.mod qs_force_types.mod qs_linres_types.mod qs_subsys_types.mod dm_ls_scf_types.mod rt_propagation_types.mod transport_env_types.mod qs_active_space_types.mod mscfg_types.mod distribution_1d_types.mod ewald_pw_types.mod pw_env_types.mod qs_kind_types.mod qs_period_efield_types.mod admm_types.mod xas_env_types.mod qs_rho_types.mod qs_dispersion_types.mod semi_empirical_store_int_types.mod hartree_local_types.mod qs_ks_types.mod particle_types.mod rel_control_types.mod cp_control_types.mod wannier_states_types.mod semi_empirical_mpole_types.mod qmmm_types_low.mod qs_gcp_types.mod kg_environment_types.mod qs_rho_atom_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_rho0_types.mod molecule_kind_types.mod mp2_types.mod cell_types.mod ewald_environment_types.mod kpoint_types.mod admm_dm_types.mod cp_fm_types.mod almo_scf_types.mod qs_oce_types.mod cp_result_types.mod global_types.mod molecule_types.mod qs_mo_types.mod qs_wf_history_types.mod scf_control_types.mod distribution_2d_types.mod cp_subsys_types.mod qs_ks_qmmm_types.mod task_list_types.mod virial_types.mod ec_env_types.mod cp_para_types.mod pw_types.mod semi_empirical_types.mod cp_ddapc_types.mod qs_dftb_types.mod fist_nonbond_env_types.mod lri_environment_types.mod atprop_types.mod hfx_types.mod qs_local_rho_types.mod kinds.mod cp_blacs_env.mod base_hooks.mod qs_matrix_pools.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy_types.F qs_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy_types.mod' due to: qs_energy_types.o /build/reproducible-path/cp2k-8.1/src/qs_energy_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_cdft_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_cdft_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_cdft_types.mod cp_fm_types.mod pw_env_types.mod qs_kind_types.mod kinds.mod cp_array_utils.mod cp_blacs_env.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_cdft_types.F mixed_cdft_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mixed_cdft_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_cdft_types.mod' due to: mixed_cdft_types.o /build/reproducible-path/cp2k-8.1/src/mixed_cdft_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_cdft_types.mod cp_fm_types.mod pw_env_types.mod qs_kind_types.mod kinds.mod cp_array_utils.mod cp_blacs_env.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_subsys_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_subsys_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_list_types.mod particle_types.mod molecule_kind_types.mod atprop_types.mod colvar_types.mod cp_result_types.mod qs_force_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod qs_kind_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod molecule_list_types.mod particle_list_types.mod multipole_types.mod cell_types.mod cp_subsys_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_subsys_types.F qs_subsys_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_subsys_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_subsys_types.mod' due to: qs_subsys_types.o /build/reproducible-path/cp2k-8.1/src/qs_subsys_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_list_types.mod particle_types.mod molecule_kind_types.mod atprop_types.mod colvar_types.mod cp_result_types.mod qs_force_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod qs_kind_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod molecule_list_types.mod particle_list_types.mod multipole_types.mod cell_types.mod cp_subsys_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod mixed_energy_types.mod distribution_1d_types.mod molecule_list_types.mod qs_rho_types.mod mixed_cdft_types.mod particle_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod molecule_types.mod cp_result_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod base_hooks.mod cp_para_env.mod cp_log_handling.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_environment_types.F mixed_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mixed_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_environment_types.mod' due to: mixed_environment_types.o /build/reproducible-path/cp2k-8.1/src/mixed_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod mixed_energy_types.mod distribution_1d_types.mod molecule_list_types.mod qs_rho_types.mod mixed_cdft_types.mod particle_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod molecule_types.mod cp_result_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod base_hooks.mod cp_para_env.mod cp_log_handling.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod atomic_kind_types.mod kpoint_types.mod particle_types.mod pw_env_types.mod molecule_kind_types.mod atprop_types.mod cp_result_types.mod qs_force_types.mod pw_types.mod molecule_types.mod admm_dm_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_subsys_types.mod virial_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod cp_subsys_types.mod cp_blacs_env.mod cp_para_env.mod base_hooks.mod kpoint_transitional.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_types.F qs_ks_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_types.mod' due to: qs_ks_types.o /build/reproducible-path/cp2k-8.1/src/qs_ks_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod atomic_kind_types.mod kpoint_types.mod particle_types.mod pw_env_types.mod molecule_kind_types.mod atprop_types.mod cp_result_types.mod qs_force_types.mod pw_types.mod molecule_types.mod admm_dm_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_subsys_types.mod virial_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod cp_subsys_types.mod cp_blacs_env.mod cp_para_env.mod base_hooks.mod kpoint_transitional.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'metadynamics_types.o' due to: /build/reproducible-path/cp2k-8.1/src/metadynamics_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod parallel_rng_types.mod kinds.mod cp_para_env.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/metadynamics_types.F metadynamics_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' metadynamics_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'metadynamics_types.mod' due to: metadynamics_types.o /build/reproducible-path/cp2k-8.1/src/metadynamics_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod parallel_rng_types.mod kinds.mod cp_para_env.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'wannier_states_types.o' due to: /build/reproducible-path/cp2k-8.1/src/wannier_states_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/wannier_states_types.F wannier_states_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' wannier_states_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'wannier_states_types.mod' due to: wannier_states_types.o /build/reproducible-path/cp2k-8.1/src/wannier_states_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_qmmm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod pw_env_types.mod cube_utils.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_types.F qs_ks_qmmm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_qmmm_types.mod' due to: qs_ks_qmmm_types.o /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod pw_env_types.mod cube_utils.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_active_space_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_active_space_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_active_space_types.F qs_active_space_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_active_space_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_active_space_types.mod' due to: qs_active_space_types.o /build/reproducible-path/cp2k-8.1/src/qs_active_space_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod hfx_types.mod cp_eri_mme_interface.mod kinds.mod libint_2c_3c.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_types.F mp2_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_types.mod' due to: mp2_types.o /build/reproducible-path/cp2k-8.1/src/mp2_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod hfx_types.mod cp_eri_mme_interface.mod kinds.mod libint_2c_3c.mod base_hooks.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 et_coupling_types.mod distribution_2d_types.mod ec_env_types.mod input_section_types.mod atomic_kind_types.mod qs_gcp_types.mod kpoint_types.mod dm_ls_scf_types.mod fist_nonbond_env_types.mod qs_dispersion_types.mod qs_linres_types.mod ewald_environment_types.mod qs_period_efield_types.mod semi_empirical_types.mod transport_env_types.mod cp_fm_types.mod qs_scf_types.mod cp_ddapc_types.mod semi_empirical_store_int_types.mod mscfg_types.mod qmmm_types_low.mod kg_environment_types.mod qs_mo_types.mod hartree_local_types.mod particle_types.mod admm_types.mod pw_env_types.mod hfx_types.mod rt_propagation_types.mod almo_scf_types.mod atprop_types.mod molecule_kind_types.mod cp_result_types.mod rel_control_types.mod xas_env_types.mod qs_charges_types.mod qs_force_types.mod pw_types.mod molecule_types.mod admm_dm_types.mod qs_dftb_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod task_list_types.mod qs_wf_history_types.mod qs_subsys_types.mod virial_types.mod qs_neighbor_list_types.mod qs_ks_types.mod qs_rho_atom_types.mod distribution_1d_types.mod qs_energy_types.mod wannier_states_types.mod qs_oce_types.mod cp_control_types.mod qs_rho_types.mod lri_environment_types.mod scf_control_types.mod qs_rho0_types.mod global_types.mod qs_ks_qmmm_types.mod qs_local_rho_types.mod cell_types.mod qs_active_space_types.mod cp_subsys_types.mod semi_empirical_mpole_types.mod mp2_types.mod cp_blacs_env.mod kinds.mod base_hooks.mod qs_matrix_pools.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_environment_types.F qs_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_environment_types.mod' due to: qs_environment_types.o /build/reproducible-path/cp2k-8.1/src/qs_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 et_coupling_types.mod distribution_2d_types.mod ec_env_types.mod input_section_types.mod atomic_kind_types.mod qs_gcp_types.mod kpoint_types.mod dm_ls_scf_types.mod fist_nonbond_env_types.mod qs_dispersion_types.mod qs_linres_types.mod ewald_environment_types.mod qs_period_efield_types.mod semi_empirical_types.mod transport_env_types.mod cp_fm_types.mod qs_scf_types.mod cp_ddapc_types.mod semi_empirical_store_int_types.mod mscfg_types.mod qmmm_types_low.mod kg_environment_types.mod qs_mo_types.mod hartree_local_types.mod particle_types.mod admm_types.mod pw_env_types.mod hfx_types.mod rt_propagation_types.mod almo_scf_types.mod atprop_types.mod molecule_kind_types.mod cp_result_types.mod rel_control_types.mod xas_env_types.mod qs_charges_types.mod qs_force_types.mod pw_types.mod molecule_types.mod admm_dm_types.mod qs_dftb_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod task_list_types.mod qs_wf_history_types.mod qs_subsys_types.mod virial_types.mod qs_neighbor_list_types.mod qs_ks_types.mod qs_rho_atom_types.mod distribution_1d_types.mod qs_energy_types.mod wannier_states_types.mod qs_oce_types.mod cp_control_types.mod qs_rho_types.mod lri_environment_types.mod scf_control_types.mod qs_rho0_types.mod global_types.mod qs_ks_qmmm_types.mod qs_local_rho_types.mod cell_types.mod qs_active_space_types.mod cp_subsys_types.mod semi_empirical_mpole_types.mod mp2_types.mod cp_blacs_env.mod kinds.mod base_hooks.mod qs_matrix_pools.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod cp_subsys_types.mod fist_environment_types.mod qs_environment_types.mod qmmm_types_low.mod fist_energy_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_types_low.mod fist_environment_types.mod fist_energy_types.mod cp_subsys_types.mod qs_environment_types.mod qs_energy_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_types.F qmmm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_types.mod' due to: qmmm_types.o /build/reproducible-path/cp2k-8.1/src/qmmm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod cp_subsys_types.mod fist_environment_types.mod qs_environment_types.mod qmmm_types_low.mod fist_energy_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_types.mod' due to: qmmm_types.o /build/reproducible-path/cp2k-8.1/src/qmmm_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_types_low.mod fist_environment_types.mod fist_energy_types.mod cp_subsys_types.mod qs_environment_types.mod qs_energy_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'metadynamics_types.o' due to: /build/reproducible-path/cp2k-8.1/src/metadynamics_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod parallel_rng_types.mod cp_para_env.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/metadynamics_types.F metadynamics_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' metadynamics_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'metadynamics_types.mod' due to: metadynamics_types.o /build/reproducible-path/cp2k-8.1/src/metadynamics_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod parallel_rng_types.mod cp_para_env.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'embed_types.o' due to: /build/reproducible-path/cp2k-8.1/src/embed_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod cp_fm_types.mod particle_types.mod molecule_kind_types.mod cp_result_types.mod pw_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod distribution_1d_types.mod lri_environment_types.mod molecule_list_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod cp_para_env.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/embed_types.F embed_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' embed_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'embed_types.mod' due to: embed_types.o /build/reproducible-path/cp2k-8.1/src/embed_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod cp_fm_types.mod particle_types.mod molecule_kind_types.mod cp_result_types.mod pw_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod distribution_1d_types.mod lri_environment_types.mod molecule_list_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod cp_para_env.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eip_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/eip_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod molecule_types.mod atomic_kind_list_types.mod molecule_list_types.mod particle_list_types.mod particle_types.mod cell_types.mod virial_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eip_environment_types.F eip_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eip_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eip_environment_types.mod' due to: eip_environment_types.o /build/reproducible-path/cp2k-8.1/src/eip_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod molecule_types.mod atomic_kind_list_types.mod molecule_list_types.mod particle_list_types.mod particle_types.mod cell_types.mod virial_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmmx_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmmx_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmmx_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmmx_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmmx_types.F qmmmx_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmmx_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmmx_types.mod' due to: qmmmx_types.o /build/reproducible-path/cp2k-8.1/src/qmmmx_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmmx_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmmx_types.mod' due to: qmmmx_types.o /build/reproducible-path/cp2k-8.1/src/qmmmx_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fp_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fp_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fp_types.F fp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fp_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fp_types.mod' due to: fp_types.o /build/reproducible-path/cp2k-8.1/src/fp_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'nnp_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/nnp_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod molecule_types.mod atomic_kind_list_types.mod molecule_list_types.mod particle_list_types.mod particle_types.mod cell_types.mod virial_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/nnp_environment_types.F nnp_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' nnp_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'nnp_environment_types.mod' due to: nnp_environment_types.o /build/reproducible-path/cp2k-8.1/src/nnp_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod molecule_types.mod atomic_kind_list_types.mod molecule_list_types.mod particle_list_types.mod particle_types.mod cell_types.mod virial_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pwdft_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pwdft_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod qs_subsys_types.mod cp_para_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pwdft_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/pwdft_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod qs_subsys_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pwdft_environment_types.F pwdft_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pwdft_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pwdft_environment_types.mod' due to: pwdft_environment_types.o /build/reproducible-path/cp2k-8.1/src/pwdft_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod qs_subsys_types.mod cp_para_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pwdft_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pwdft_environment_types.mod' due to: pwdft_environment_types.o /build/reproducible-path/cp2k-8.1/src/pwdft_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod qs_subsys_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eip_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/eip_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod particle_list_types.mod virial_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_list_types.mod cell_types.mod distribution_1d_types.mod molecule_types.mod molecule_list_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eip_environment_types.F eip_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eip_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eip_environment_types.mod' due to: eip_environment_types.o /build/reproducible-path/cp2k-8.1/src/eip_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod particle_list_types.mod virial_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_list_types.mod cell_types.mod distribution_1d_types.mod molecule_types.mod molecule_list_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fp_types.o' due to: /build/reproducible-path/cp2k-8.1/src/fp_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fp_types.F fp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fp_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fp_types.mod' due to: fp_types.o /build/reproducible-path/cp2k-8.1/src/fp_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_energy_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_energy_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_energy_types.F mixed_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_energy_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_energy_types.mod' due to: mixed_energy_types.o /build/reproducible-path/cp2k-8.1/src/mixed_energy_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_cdft_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_cdft_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_kind_types.mod qs_cdft_types.mod pw_env_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_array_utils.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_cdft_types.F mixed_cdft_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_cdft_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_cdft_types.mod' due to: mixed_cdft_types.o /build/reproducible-path/cp2k-8.1/src/mixed_cdft_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_kind_types.mod qs_cdft_types.mod pw_env_types.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_array_utils.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/force_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod nnp_environment_types.mod mixed_energy_types.mod embed_types.mod fist_energy_types.mod fist_environment_types.mod qs_environment_types.mod mixed_environment_types.mod metadynamics_types.mod input_section_types.mod qmmmx_types.mod cell_types.mod global_types.mod cp_subsys_types.mod qmmm_types.mod cp_para_types.mod fp_types.mod pwdft_environment_types.mod eip_environment_types.mod kinds.mod base_hooks.mod cp_para_env.mod cp_log_handling.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod mixed_cdft_types.mod particle_types.mod molecule_kind_types.mod cp_result_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod distribution_1d_types.mod qs_rho_types.mod molecule_list_types.mod particle_list_types.mod mixed_energy_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod cp_para_env.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_environment_types.F mixed_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_environment_types.mod' due to: mixed_environment_types.o /build/reproducible-path/cp2k-8.1/src/mixed_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod mixed_cdft_types.mod particle_types.mod molecule_kind_types.mod cp_result_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod distribution_1d_types.mod qs_rho_types.mod molecule_list_types.mod particle_list_types.mod mixed_energy_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod cp_para_env.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/force_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_environment_types.mod qmmm_types.mod metadynamics_types.mod embed_types.mod eip_environment_types.mod qmmmx_types.mod nnp_environment_types.mod pwdft_environment_types.mod fp_types.mod cp_para_types.mod fist_energy_types.mod qs_energy_types.mod global_types.mod mixed_energy_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod mixed_environment_types.mod cp_log_handling.mod cp_para_env.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_env_types.F force_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' force_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_env_types.F90 /build/reproducible-path/cp2k-8.1/src/force_env_types.F:702:45: 702 | i_force_eval(1) = main_force_eval | ^ Warning: 'main_force_eval' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_env_types.mod' due to: force_env_types.o /build/reproducible-path/cp2k-8.1/src/force_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod nnp_environment_types.mod mixed_energy_types.mod embed_types.mod fist_energy_types.mod fist_environment_types.mod qs_environment_types.mod mixed_environment_types.mod metadynamics_types.mod input_section_types.mod qmmmx_types.mod cell_types.mod global_types.mod cp_subsys_types.mod qmmm_types.mod cp_para_types.mod fp_types.mod pwdft_environment_types.mod eip_environment_types.mod kinds.mod base_hooks.mod cp_para_env.mod cp_log_handling.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_env_types.mod' due to: force_env_types.o /build/reproducible-path/cp2k-8.1/src/force_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_environment_types.mod qmmm_types.mod metadynamics_types.mod embed_types.mod eip_environment_types.mod qmmmx_types.mod nnp_environment_types.mod pwdft_environment_types.mod fp_types.mod cp_para_types.mod fist_energy_types.mod qs_energy_types.mod global_types.mod mixed_energy_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod mixed_environment_types.mod cp_log_handling.mod cp_para_env.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'subcell_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subcell_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cell_types.mod util.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subcell_types.F subcell_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' subcell_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'subcell_types.mod' due to: subcell_types.o /build/reproducible-path/cp2k-8.1/src/subcell_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cell_types.mod util.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'extended_system_types.o' due to: /build/reproducible-path/cp2k-8.1/src/extended_system_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/extended_system_types.F extended_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' extended_system_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'extended_system_types.mod' due to: extended_system_types.o /build/reproducible-path/cp2k-8.1/src/extended_system_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod input_constants.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_neighbor_lists.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_neighbor_lists.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod distribution_1d_types.mod particle_types.mod subcell_types.mod input_section_types.mod fist_neighbor_list_types.mod cell_types.mod cp_para_types.mod kinds.mod string_utilities.mod util.mod cp_output_handling.mod base_hooks.mod qmmm_ff_fist.mod cp_log_handling.mod memory_utilities.mod cp_units.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_neighbor_lists.F fist_neighbor_lists.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_neighbor_lists.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_neighbor_lists.mod' due to: fist_neighbor_lists.o /build/reproducible-path/cp2k-8.1/src/fist_neighbor_lists.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod distribution_1d_types.mod particle_types.mod subcell_types.mod input_section_types.mod fist_neighbor_list_types.mod cell_types.mod cp_para_types.mod kinds.mod string_utilities.mod util.mod cp_output_handling.mod base_hooks.mod qmmm_ff_fist.mod cp_log_handling.mod memory_utilities.mod cp_units.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gle_system_types.o' due to: /build/reproducible-path/cp2k-8.1/src/gle_system_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod extended_system_types.mod kinds.mod string_utilities.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/gle_system_types.F gle_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gle_system_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gle_system_types.mod' due to: gle_system_types.o /build/reproducible-path/cp2k-8.1/src/gle_system_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod extended_system_types.mod kinds.mod string_utilities.mod base_hooks.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_util.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod cp_subsys_types.mod input_section_types.mod qmmm_types.mod fist_environment_types.mod particle_types.mod cell_types.mod qs_kind_types.mod qs_environment_types.mod force_env_types.mod kinds.mod particle_methods.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_util.F qmmm_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_util.mod' due to: qmmm_util.o /build/reproducible-path/cp2k-8.1/src/qmmm_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod cp_subsys_types.mod input_section_types.mod qmmm_types.mod fist_environment_types.mod particle_types.mod cell_types.mod qs_kind_types.mod qs_environment_types.mod force_env_types.mod kinds.mod particle_methods.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'al_system_types.o' due to: /build/reproducible-path/cp2k-8.1/src/al_system_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod extended_system_types.mod kinds.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/al_system_types.F al_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' al_system_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'al_system_types.mod' due to: al_system_types.o /build/reproducible-path/cp2k-8.1/src/al_system_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod extended_system_types.mod kinds.mod base_hooks.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmmx_util.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmmx_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_list_types.mod particle_types.mod qmmm_types_low.mod input_section_types.mod particle_list_types.mod fist_neighbor_list_types.mod qmmmx_types.mod cell_types.mod molecule_types.mod cp_subsys_types.mod qmmm_types.mod cp_para_types.mod kinds.mod base_hooks.mod qmmm_ff_fist.mod fist_neighbor_lists.mod qmmm_util.mod cp_log_handling.mod memory_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmmx_util.F qmmmx_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmmx_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmmx_util.mod' due to: qmmmx_util.o /build/reproducible-path/cp2k-8.1/src/qmmmx_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_list_types.mod particle_types.mod qmmm_types_low.mod input_section_types.mod particle_list_types.mod fist_neighbor_list_types.mod qmmmx_types.mod cell_types.mod molecule_types.mod cp_subsys_types.mod qmmm_types.mod cp_para_types.mod kinds.mod base_hooks.mod qmmm_ff_fist.mod fist_neighbor_lists.mod qmmm_util.mod cp_log_handling.mod memory_utilities.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'csvr_system_types.o' due to: /build/reproducible-path/cp2k-8.1/src/csvr_system_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod parallel_rng_types.mod extended_system_types.mod kinds.mod string_utilities.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/csvr_system_types.F csvr_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' csvr_system_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'csvr_system_types.mod' due to: csvr_system_types.o /build/reproducible-path/cp2k-8.1/src/csvr_system_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod parallel_rng_types.mod extended_system_types.mod kinds.mod string_utilities.mod base_hooks.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewald_pw_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/ewald_pw_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod input_section_types.mod dg_types.mod ewald_environment_types.mod ewald_pw_types.mod dg_rho0_types.mod pw_poisson_types.mod kinds.mod pw_poisson_methods.mod pw_grids.mod pw_poisson_read_input.mod base_hooks.mod dgs.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewald_pw_methods.F ewald_pw_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ewald_pw_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewald_pw_methods.mod' due to: ewald_pw_methods.o /build/reproducible-path/cp2k-8.1/src/ewald_pw_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod input_section_types.mod dg_types.mod ewald_environment_types.mod ewald_pw_types.mod dg_rho0_types.mod pw_poisson_types.mod kinds.mod pw_poisson_methods.mod pw_grids.mod pw_poisson_read_input.mod base_hooks.mod dgs.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermostat_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod gle_system_types.mod al_system_types.mod extended_system_types.mod csvr_system_types.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_types.F thermostat_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermostat_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermostat_types.mod' due to: thermostat_types.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod gle_system_types.mod al_system_types.mod extended_system_types.mod csvr_system_types.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_min_heap.mod' due to: cp_min_heap.o +/build/reproducible-path/cp2k-8.1/Makefile:484: update target '/build/reproducible-path/cp2k-8.1/obj/git-ref' due to: FORCE +echo git:0b61f2f > "/build/reproducible-path/cp2k-8.1/obj/git-ref.tmp" +cmp "/build/reproducible-path/cp2k-8.1/obj/git-ref.tmp" "/build/reproducible-path/cp2k-8.1/obj/git-ref" || mv -f "/build/reproducible-path/cp2k-8.1/obj/git-ref.tmp" "/build/reproducible-path/cp2k-8.1/obj/git-ref" +cmp: /build/reproducible-path/cp2k-8.1/obj/git-ref: No such file or directory +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp2k_info.o' due to: /build/reproducible-path/cp2k-8.1/src/cp2k_info.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod input_constants.mod kinds.mod string_utilities.mod machine.mod /build/reproducible-path/cp2k-8.1/obj/git-ref +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp2k_info.F cp2k_info.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp2k_info.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp2k_info.mod' due to: cp2k_info.o /build/reproducible-path/cp2k-8.1/src/cp2k_info.F input_constants.mod kinds.mod string_utilities.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'distribution_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/distribution_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod parallel_rng_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod molecule_types.mod distribution_2d_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod util.mod cp_output_handling.mod base_hooks.mod mathconstants.mod machine.mod cp_log_handling.mod cp_min_heap.mod input_constants.mod cp_array_utils.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/distribution_methods.F distribution_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' distribution_methods.F90 -/build/reproducible-path/cp2k-8.1/src/distribution_methods.F:277:45: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'motion_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod particle_types.mod virial_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_units.mod kinds.mod cp_log_handling.mod base_hooks.mod cp2k_info.mod machine.mod input_constants.mod mathlib.mod physcon.mod particle_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion_utils.F motion_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' motion_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'motion_utils.mod' due to: motion_utils.o /build/reproducible-path/cp2k-8.1/src/motion_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod particle_types.mod virial_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_units.mod kinds.mod cp_log_handling.mod base_hooks.mod cp2k_info.mod machine.mod input_constants.mod mathlib.mod physcon.mod particle_methods.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermostat_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod qmmm_types.mod particle_types.mod molecule_kind_types.mod shell_potential_types.mod molecule_types.mod cp_para_types.mod thermostat_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod cell_types.mod extended_system_types.mod cp_log_handling.mod message_passing.mod cp_units.mod motion_utils.mod machine.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F thermostat_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermostat_utils.F90 +/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F:605:41: - 277 | bin_price = workload_fill(ipe) - | ^ -Warning: 'ipe' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'distribution_methods.mod' due to: distribution_methods.o /build/reproducible-path/cp2k-8.1/src/distribution_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod parallel_rng_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod molecule_types.mod distribution_2d_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod util.mod cp_output_handling.mod base_hooks.mod mathconstants.mod machine.mod cp_log_handling.mod cp_min_heap.mod input_constants.mod cp_array_utils.mod mathlib.mod + 605 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE. + | ^ +Warning: 'nmolecule' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F:317:38: + + 317 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE. + | ^ +Warning: 'nmolecule' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermostat_utils.mod' due to: thermostat_utils.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod qmmm_types.mod particle_types.mod molecule_kind_types.mod shell_potential_types.mod molecule_types.mod cp_para_types.mod thermostat_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod cell_types.mod extended_system_types.mod cp_log_handling.mod message_passing.mod cp_units.mod motion_utils.mod machine.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_types.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 colvar_types.mod cell_types.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_types.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cell_types.mod colvar_types.mod kinds.mod base_hooks.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_types.F topology_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_types.mod' due to: topology_types.o /build/reproducible-path/cp2k-8.1/src/topology_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 colvar_types.mod cell_types.mod kinds.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_types.mod' due to: topology_types.o /build/reproducible-path/cp2k-8.1/src/topology_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cell_types.mod colvar_types.mod kinds.mod base_hooks.mod input_constants.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'string_table.mod' due to: string_table.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_result_methods.mod' due to: cp_result_methods.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_binary_restarts.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_binary_restarts.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod particle_types.mod topology_types.mod extended_system_types.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod string_table.mod physcon.mod print_messages.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:15:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_binary_restarts.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_binary_restarts.mod' due to: input_cp2k_binary_restarts.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_binary_restarts.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod particle_types.mod topology_types.mod extended_system_types.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod string_table.mod physcon.mod print_messages.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_environment_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_environment_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod virial_types.mod mixed_energy_types.mod cp_result_types.mod kinds.mod cp_result_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_environment_utils.F mixed_environment_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mixed_environment_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_environment_utils.mod' due to: mixed_environment_utils.o /build/reproducible-path/cp2k-8.1/src/mixed_environment_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod virial_types.mod mixed_energy_types.mod cp_result_types.mod kinds.mod cp_result_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermostat_mapping.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 simpar_types.mod molecule_types.mod cp_para_types.mod cell_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod memory_utilities.mod kinds.mod base_hooks.mod input_constants.mod message_passing.mod util.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermostat_mapping.F90 +/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:576:38: + + 576 | ALLOCATE (map_info%s_kin(nsize)) + | ^ +Warning: 'nsize' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:554:69: + + 554 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const + | ^ +Warning: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:983:66: + + 983 | id_region = map_loc_thermo_gen(iatm) + | ^ +Warning: 'iatm' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:830:56: + + 830 | INTEGER :: atm_offset, first_atom, handle, i, iatm, icount, id_region, ikind, ilist, imol, & + | ^ +note: 'iatm' was declared here +/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:121:38: + + 121 | ALLOCATE (map_info%s_kin(nsize)) + | ^ +Warning: 'nsize' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:100:80: + + 100 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const + | ^ +Warning: 'MEM[(struct array01_integer(kind=4) &)&tot_const].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:100:69: + + 100 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const + | ^ +Warning: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermostat_mapping.mod' due to: thermostat_mapping.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 simpar_types.mod molecule_types.mod cp_para_types.mod cell_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod memory_utilities.mod kinds.mod base_hooks.mod input_constants.mod message_passing.mod util.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'extended_system_mapping.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 thermostat_types.mod simpar_types.mod molecule_types.mod cp_para_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod input_constants.mod thermostat_mapping.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' extended_system_mapping.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'extended_system_mapping.mod' due to: extended_system_mapping.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 thermostat_types.mod simpar_types.mod molecule_types.mod cp_para_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod input_constants.mod thermostat_mapping.mod message_passing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'extended_system_init.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod distribution_1d_types.mod simpar_types.mod molecule_types.mod cp_para_types.mod global_types.mod cell_types.mod thermostat_types.mod extended_system_types.mod molecule_kind_types.mod kinds.mod thermostat_utils.mod base_hooks.mod input_cp2k_binary_restarts.mod input_constants.mod extended_system_mapping.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' extended_system_init.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'extended_system_init.mod' due to: extended_system_init.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod distribution_1d_types.mod simpar_types.mod molecule_types.mod cp_para_types.mod global_types.mod cell_types.mod thermostat_types.mod extended_system_types.mod molecule_kind_types.mod kinds.mod thermostat_utils.mod base_hooks.mod input_cp2k_binary_restarts.mod input_constants.mod extended_system_mapping.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'barostat_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod global_types.mod force_env_types.mod cell_types.mod extended_system_types.mod kinds.mod base_hooks.mod input_constants.mod extended_system_init.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_types.F barostat_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' barostat_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'barostat_types.mod' due to: barostat_types.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod global_types.mod force_env_types.mod cell_types.mod extended_system_types.mod kinds.mod base_hooks.mod input_constants.mod extended_system_init.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermal_region_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_types.F thermal_region_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermal_region_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermal_region_types.mod' due to: thermal_region_types.o /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'reftraj_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/reftraj_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/reftraj_types.F reftraj_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' reftraj_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'reftraj_types.mod' due to: reftraj_types.o /build/reproducible-path/cp2k-8.1/src/motion/reftraj_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'free_energy_types.o' due to: /build/reproducible-path/cp2k-8.1/src/free_energy_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/free_energy_types.F free_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' free_energy_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'free_energy_types.mod' due to: free_energy_types.o /build/reproducible-path/cp2k-8.1/src/free_energy_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_ener_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_ener_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_ener_types.F md_ener_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_ener_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_ener_types.mod' due to: md_ener_types.o /build/reproducible-path/cp2k-8.1/src/motion/md_ener_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fparser.mod' due to: fparser.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pair_potential_util.o' due to: /build/reproducible-path/cp2k-8.1/src/pair_potential_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pair_potential_types.mod kinds.mod base_hooks.mod fparser.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pair_potential_util.o' due to: /build/reproducible-path/cp2k-8.1/src/pair_potential_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pair_potential_types.mod kinds.mod base_hooks.mod fparser.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pair_potential_util.F pair_potential_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pair_potential_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pair_potential_util.F90 /build/reproducible-path/cp2k-8.1/src/pair_potential_util.F:148:31: 148 | value = value + lvalue @@ -5662,14 +5777,14 @@ Warning: 'pp' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pair_potential_util.mod' due to: pair_potential_util.o /build/reproducible-path/cp2k-8.1/src/pair_potential_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pair_potential_types.mod kinds.mod base_hooks.mod fparser.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'splines_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/splines_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod kinds.mod base_hooks.mod cp_log_handling.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'splines_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/splines_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod kinds.mod cp_log_handling.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/splines_methods.F splines_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' splines_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'splines_methods.mod' due to: splines_methods.o /build/reproducible-path/cp2k-8.1/src/splines_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod kinds.mod base_hooks.mod cp_log_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' splines_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'splines_methods.mod' due to: splines_methods.o /build/reproducible-path/cp2k-8.1/src/splines_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod kinds.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pair_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/pair_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod splines_types.mod pair_potential_types.mod kinds.mod util.mod cp_files.mod string_table.mod cp_log_handling.mod base_hooks.mod pair_potential_util.mod fparser.mod splines_methods.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pair_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/pair_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod splines_types.mod pair_potential_types.mod cp_files.mod util.mod pair_potential_util.mod kinds.mod cp_log_handling.mod base_hooks.mod splines_methods.mod fparser.mod physcon.mod string_table.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pair_potential.F pair_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pair_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pair_potential.F90 /build/reproducible-path/cp2k-8.1/src/pair_potential.F:1025:77: 1025 | pot%spl_f%rcutsq_f = (min_sigma6/m_sigma6)**(1.0_dp/3.0_dp) @@ -5685,31 +5800,26 @@ 1026 | pot%spl_f%rscale(1) = (l_sigma6/m_sigma6)**(1.0_dp/3.0_dp) | ^ Warning: 'm_sigma6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pair_potential.mod' due to: pair_potential.o /build/reproducible-path/cp2k-8.1/src/pair_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod splines_types.mod pair_potential_types.mod kinds.mod util.mod cp_files.mod string_table.mod cp_log_handling.mod base_hooks.mod pair_potential_util.mod fparser.mod splines_methods.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pair_potential.mod' due to: pair_potential.o /build/reproducible-path/cp2k-8.1/src/pair_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod splines_types.mod pair_potential_types.mod cp_files.mod util.mod pair_potential_util.mod kinds.mod cp_log_handling.mod base_hooks.mod splines_methods.mod fparser.mod physcon.mod string_table.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pair_potential_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/pair_potential_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod kinds.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pair_potential_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/pair_potential_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod kinds.mod mathconstants.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pair_potential_coulomb.F pair_potential_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pair_potential_coulomb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pair_potential_coulomb.mod' due to: pair_potential_coulomb.o /build/reproducible-path/cp2k-8.1/src/pair_potential_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod kinds.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_binary_restarts.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_binary_restarts.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod particle_types.mod topology_types.mod extended_system_types.mod kinds.mod cp_files.mod message_passing.mod print_messages.mod string_table.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_binary_restarts.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_binary_restarts.mod' due to: input_cp2k_binary_restarts.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_binary_restarts.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod particle_types.mod topology_types.mod extended_system_types.mod kinds.mod cp_files.mod message_passing.mod print_messages.mod string_table.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod physcon.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pair_potential_coulomb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pair_potential_coulomb.mod' due to: pair_potential_coulomb.o /build/reproducible-path/cp2k-8.1/src/pair_potential_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod kinds.mod mathconstants.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atoms_input.o' due to: /build/reproducible-path/cp2k-8.1/src/atoms_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod shell_potential_types.mod particle_types.mod topology_types.mod cell_types.mod input_val_types.mod cp_linked_list_input.mod kinds.mod cp_parser_methods.mod string_table.mod string_utilities.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atoms_input.o' due to: /build/reproducible-path/cp2k-8.1/src/atoms_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod topology_types.mod cell_types.mod input_val_types.mod shell_potential_types.mod cp_units.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_linked_list_input.mod cp_parser_methods.mod string_table.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atoms_input.F atoms_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atoms_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atoms_input.F90 /build/reproducible-path/cp2k-8.1/src/atoms_input.F:441:84: 441 | core_particle_set(sh_index)%r(:) = rc(:, ishell)*unit_conv_core | ^ Warning: 'unit_conv_core' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atoms_input.mod' due to: atoms_input.o /build/reproducible-path/cp2k-8.1/src/atoms_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod shell_potential_types.mod particle_types.mod topology_types.mod cell_types.mod input_val_types.mod cp_linked_list_input.mod kinds.mod cp_parser_methods.mod string_table.mod string_utilities.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atoms_input.mod' due to: atoms_input.o /build/reproducible-path/cp2k-8.1/src/atoms_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod topology_types.mod cell_types.mod input_val_types.mod shell_potential_types.mod cp_units.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_linked_list_input.mod cp_parser_methods.mod string_table.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_fields_all.o' due to: /build/reproducible-path/cp2k-8.1/src/force_fields_all.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod shell_potential_types.mod particle_types.mod force_field_types.mod qmmm_types_low.mod pair_potential_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod force_field_kind_types.mod input_val_types.mod damping_dipole_types.mod molecule_types.mod splines_types.mod kinds.mod pair_potential.mod string_utilities.mod cp_linked_list_input.mod base_hooks.mod mathconstants.mod qmmm_ff_fist.mod physcon.mod cp_log_handling.mod memory_utilities.mod input_constants.mod pair_potential_coulomb.mod input_cp2k_binary_restarts.mod atoms_input.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_fields_all.o' due to: /build/reproducible-path/cp2k-8.1/src/force_fields_all.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod ewald_environment_types.mod force_field_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod input_val_types.mod damping_dipole_types.mod shell_potential_types.mod splines_types.mod force_field_kind_types.mod molecule_types.mod pair_potential_types.mod cell_types.mod cp_log_handling.mod pair_potential.mod pair_potential_coulomb.mod cp_linked_list_input.mod mathconstants.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod atoms_input.mod input_cp2k_binary_restarts.mod physcon.mod string_utilities.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_fields_all.F force_fields_all.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:03:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' force_fields_all.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_fields_all.F90 /build/reproducible-path/cp2k-8.1/src/force_fields_all.F:2659:39: 2659 | rmin = rmin2_a + rmin2_b @@ -5722,21 +5832,28 @@ | ^ Warning: 'epsilon_b' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/force_fields_all.F:2661:56: Warning: 'epsilon_a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_fields_all.mod' due to: force_fields_all.o /build/reproducible-path/cp2k-8.1/src/force_fields_all.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod shell_potential_types.mod particle_types.mod force_field_types.mod qmmm_types_low.mod pair_potential_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod force_field_kind_types.mod input_val_types.mod damping_dipole_types.mod molecule_types.mod splines_types.mod kinds.mod pair_potential.mod string_utilities.mod cp_linked_list_input.mod base_hooks.mod mathconstants.mod qmmm_ff_fist.mod physcon.mod cp_log_handling.mod memory_utilities.mod input_constants.mod pair_potential_coulomb.mod input_cp2k_binary_restarts.mod atoms_input.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_fields_all.mod' due to: force_fields_all.o /build/reproducible-path/cp2k-8.1/src/force_fields_all.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod ewald_environment_types.mod force_field_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod input_val_types.mod damping_dipole_types.mod shell_potential_types.mod splines_types.mod force_field_kind_types.mod molecule_types.mod pair_potential_types.mod cell_types.mod cp_log_handling.mod pair_potential.mod pair_potential_coulomb.mod cp_linked_list_input.mod mathconstants.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod atoms_input.mod input_cp2k_binary_restarts.mod physcon.mod string_utilities.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_fields_util.o' due to: /build/reproducible-path/cp2k-8.1/src/force_fields_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod colvar_types.mod particle_types.mod force_field_types.mod qmmm_types_low.mod pair_potential_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod force_field_kind_types.mod molecule_types.mod fist_nonbond_env_types.mod kinds.mod string_utilities.mod force_fields_all.mod cp_output_handling.mod base_hooks.mod cp_log_handling.mod memory_utilities.mod cp_units.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_fields_util.o' due to: /build/reproducible-path/cp2k-8.1/src/force_fields_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod force_field_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod colvar_types.mod shell_potential_types.mod force_field_kind_types.mod molecule_types.mod pair_potential_types.mod cell_types.mod cp_log_handling.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod force_fields_all.mod string_utilities.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_fields_util.F force_fields_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' force_fields_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_fields_util.mod' due to: force_fields_util.o /build/reproducible-path/cp2k-8.1/src/force_fields_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod colvar_types.mod particle_types.mod force_field_types.mod qmmm_types_low.mod pair_potential_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod force_field_kind_types.mod molecule_types.mod fist_nonbond_env_types.mod kinds.mod string_utilities.mod force_fields_all.mod cp_output_handling.mod base_hooks.mod cp_log_handling.mod memory_utilities.mod cp_units.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_fields_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_fields_util.mod' due to: force_fields_util.o /build/reproducible-path/cp2k-8.1/src/force_fields_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod force_field_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod colvar_types.mod shell_potential_types.mod force_field_kind_types.mod molecule_types.mod pair_potential_types.mod cell_types.mod cp_log_handling.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod force_fields_all.mod string_utilities.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rmsd.o' due to: /build/reproducible-path/cp2k-8.1/src/rmsd.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod kinds.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rmsd.o' due to: /build/reproducible-path/cp2k-8.1/src/rmsd.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod kinds.mod base_hooks.mod mathlib.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rmsd.F rmsd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rmsd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rmsd.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rmsd.mod' due to: rmsd.o /build/reproducible-path/cp2k-8.1/src/rmsd.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod kinds.mod base_hooks.mod mathlib.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_fxd.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_fxd.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod particle_list_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod colvar_types.mod atomic_kind_list_types.mod cell_types.mod distribution_1d_types.mod force_env_types.mod molecule_kind_list_types.mod kinds.mod util.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_result_methods.mod' due to: cp_result_methods.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_environment_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_environment_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod mixed_energy_types.mod virial_types.mod cp_result_types.mod kinds.mod base_hooks.mod cp_result_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_environment_utils.F mixed_environment_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_environment_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_environment_utils.mod' due to: mixed_environment_utils.o /build/reproducible-path/cp2k-8.1/src/mixed_environment_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod mixed_energy_types.mod virial_types.mod cp_result_types.mod kinds.mod base_hooks.mod cp_result_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_fxd.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_fxd.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_list_types.mod molecule_types.mod atomic_kind_list_types.mod particle_list_types.mod particle_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod colvar_types.mod distribution_1d_types.mod util.mod kinds.mod base_hooks.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_fxd.F constraint_fxd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' constraint_fxd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_fxd.F90 /build/reproducible-path/cp2k-8.1/src/constraint_fxd.F:241:86: 241 | shell_particle_set(shell_index)%f(:) = force(:, natom + shell_index) @@ -5759,11 +5876,11 @@ 85 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, & | ^ Warning: 'core_particle_set.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_fxd.mod' due to: constraint_fxd.o /build/reproducible-path/cp2k-8.1/src/constraint_fxd.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod particle_list_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod colvar_types.mod atomic_kind_list_types.mod cell_types.mod distribution_1d_types.mod force_env_types.mod molecule_kind_list_types.mod kinds.mod util.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_fxd.mod' due to: constraint_fxd.o /build/reproducible-path/cp2k-8.1/src/constraint_fxd.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_list_types.mod molecule_types.mod atomic_kind_list_types.mod particle_list_types.mod particle_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod colvar_types.mod distribution_1d_types.mod util.mod kinds.mod base_hooks.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'colvar_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/colvar_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mixed_energy_types.mod colvar_types.mod force_env_types.mod particle_types.mod wannier_states_types.mod qs_environment_types.mod input_enumeration_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod input_keyword_types.mod cp_subsys_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod message_passing.mod string_utilities.mod mixed_environment_utils.mod spherical_harmonics.mod fparser.mod force_fields_util.mod cp_output_handling.mod input_cp2k_colvar.mod base_hooks.mod mathconstants.mod rmsd.mod cp_log_handling.mod memory_utilities.mod input_constants.mod constraint_fxd.mod kahan_sum.mod cp_parser_methods.mod cp_units.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'colvar_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/colvar_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod cp_para_types.mod input_keyword_types.mod wannier_states_types.mod input_enumeration_types.mod cp_parser_types.mod particle_list_types.mod mixed_energy_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod cp_log_handling.mod force_fields_util.mod fparser.mod message_passing.mod cp_units.mod rmsd.mod cp_parser_methods.mod kahan_sum.mod mathlib.mod cp_output_handling.mod input_cp2k_colvar.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod mixed_environment_utils.mod string_utilities.mod input_constants.mod constraint_fxd.mod spherical_harmonics.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/colvar_methods.F colvar_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' colvar_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' colvar_methods.F90 /build/reproducible-path/cp2k-8.1/src/colvar_methods.F:1278:70: 1278 | tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component) @@ -5854,342 +5971,232 @@ 3057 | ftmp(1) = dedxia | ^ Warning: 'dedxia' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'colvar_methods.mod' due to: colvar_methods.o /build/reproducible-path/cp2k-8.1/src/colvar_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mixed_energy_types.mod colvar_types.mod force_env_types.mod particle_types.mod wannier_states_types.mod qs_environment_types.mod input_enumeration_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod input_keyword_types.mod cp_subsys_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod message_passing.mod string_utilities.mod mixed_environment_utils.mod spherical_harmonics.mod fparser.mod force_fields_util.mod cp_output_handling.mod input_cp2k_colvar.mod base_hooks.mod mathconstants.mod rmsd.mod cp_log_handling.mod memory_utilities.mod input_constants.mod constraint_fxd.mod kahan_sum.mod cp_parser_methods.mod cp_units.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'colvar_methods.mod' due to: colvar_methods.o /build/reproducible-path/cp2k-8.1/src/colvar_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod cp_para_types.mod input_keyword_types.mod wannier_states_types.mod input_enumeration_types.mod cp_parser_types.mod particle_list_types.mod mixed_energy_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod cp_log_handling.mod force_fields_util.mod fparser.mod message_passing.mod cp_units.mod rmsd.mod cp_parser_methods.mod kahan_sum.mod mathlib.mod cp_output_handling.mod input_cp2k_colvar.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod mixed_environment_utils.mod string_utilities.mod input_constants.mod constraint_fxd.mod spherical_harmonics.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mm_mapping_library.o' due to: /build/reproducible-path/cp2k-8.1/src/mm_mapping_library.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mm_mapping_library.F mm_mapping_library.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mm_mapping_library.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mm_mapping_library.mod' due to: mm_mapping_library.o /build/reproducible-path/cp2k-8.1/src/mm_mapping_library.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'colvar_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/colvar_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_list_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod molecule_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod colvar_methods.mod message_passing.mod util.mod rmsd.mod mathlib.mod memory_utilities.mod kinds.mod base_hooks.mod string_utilities.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/colvar_utils.F colvar_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' colvar_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'colvar_utils.mod' due to: colvar_utils.o /build/reproducible-path/cp2k-8.1/src/colvar_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_list_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod molecule_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod colvar_methods.mod message_passing.mod util.mod rmsd.mod mathlib.mod memory_utilities.mod kinds.mod base_hooks.mod string_utilities.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'graphcon.o' due to: /build/reproducible-path/cp2k-8.1/src/graphcon.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 util.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/graphcon.F graphcon.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' graphcon.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'graphcon.mod' due to: graphcon.o /build/reproducible-path/cp2k-8.1/src/graphcon.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 util.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'averages_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/averages_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod md_ener_types.mod force_env_types.mod cell_types.mod virial_types.mod kinds.mod colvar_utils.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/averages_types.F averages_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' averages_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'averages_types.mod' due to: averages_types.o /build/reproducible-path/cp2k-8.1/src/motion/averages_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod md_ener_types.mod force_env_types.mod cell_types.mod virial_types.mod kinds.mod colvar_utils.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_util.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod topology_types.mod kinds.mod util.mod string_table.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod periodic_table.mod mm_mapping_library.mod base_hooks.mod graphcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_util.F topology_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_util.F90 -/build/reproducible-path/cp2k-8.1/src/topology_util.F:977:61: - - 977 | upper_sym_1 = id2str(atom_info%id_element(iatom)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_util.mod' due to: topology_util.o /build/reproducible-path/cp2k-8.1/src/topology_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod topology_types.mod kinds.mod util.mod string_table.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod periodic_table.mod mm_mapping_library.mod base_hooks.mod graphcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod input_section_types.mod free_energy_types.mod md_ener_types.mod simpar_types.mod reftraj_types.mod thermal_region_types.mod cp_para_types.mod averages_types.mod force_env_types.mod cell_types.mod thermostat_types.mod extended_system_types.mod cp_para_env.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_environment_types.F md_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_environment_types.mod' due to: md_environment_types.o /build/reproducible-path/cp2k-8.1/src/motion/md_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod input_section_types.mod free_energy_types.mod md_ener_types.mod simpar_types.mod reftraj_types.mod thermal_region_types.mod cp_para_types.mod averages_types.mod force_env_types.mod cell_types.mod thermostat_types.mod extended_system_types.mod cp_para_env.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_coordinate_util.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_coordinate_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod input_section_types.mod molecule_types.mod external_potential_types.mod molecule_kind_types.mod particle_types.mod topology_types.mod qmmm_types_low.mod kinds.mod string_table.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod topology_util.mod base_hooks.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_coordinate_util.F topology_coordinate_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_coordinate_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_coordinate_util.mod' due to: topology_coordinate_util.o /build/reproducible-path/cp2k-8.1/src/topology_coordinate_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod input_section_types.mod molecule_types.mod external_potential_types.mod molecule_kind_types.mod particle_types.mod topology_types.mod qmmm_types_low.mod kinds.mod string_table.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod topology_util.mod base_hooks.mod input_constants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eigenvalueproblems.mod' due to: eigenvalueproblems.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_connectivity_util.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_connectivity_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod molecule_kind_types.mod topology_types.mod force_field_kind_types.mod kinds.mod util.mod string_table.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_connectivity_util.F topology_connectivity_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_connectivity_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_connectivity_util.mod' due to: topology_connectivity_util.o /build/reproducible-path/cp2k-8.1/src/topology_connectivity_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod molecule_kind_types.mod topology_types.mod force_field_kind_types.mod kinds.mod util.mod string_table.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'header.o' due to: /build/reproducible-path/cp2k-8.1/src/header.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp2k_info.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/header.F header.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' header.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'header.mod' due to: header.o /build/reproducible-path/cp2k-8.1/src/header.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp2k_info.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_generate_util.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_generate_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod qmmm_types_low.mod input_section_types.mod fist_neighbor_list_types.mod topology_types.mod cell_types.mod cp_para_types.mod kinds.mod string_table.mod string_utilities.mod util.mod cp_output_handling.mod base_hooks.mod fist_neighbor_lists.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_units.mod periodic_table.mod topology_util.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_generate_util.F topology_generate_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_generate_util.F90 -/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:1897:59: - - 1897 | atm_symbol = id2str(atom_info%id_element(i)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:630:58: - - 630 | upper_sym_1 = id2str(atom_info%id_element(iatom)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:1656:34: - - 1656 | ind = wrk(i)%array1(j) - | ^ -Warning: 'wrk.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:1656:34: Warning: 'wrk.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:1656:34: Warning: 'wrk.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:1178:22: - - 1178 | IF (do_it > 0) THEN - | ^ -Warning: 'do_it' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:764:35: - - 764 | rbond2 = rbond*rbond - | ^ -Warning: 'rbond' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:498:101: - - 498 | atom_info%map_mol_typ(ilast + 1), atom_info%map_mol_num(ilast + 1)) - | ^ -Warning: 'ilast' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_generate_util.mod' due to: topology_generate_util.o /build/reproducible-path/cp2k-8.1/src/topology_generate_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod qmmm_types_low.mod input_section_types.mod fist_neighbor_list_types.mod topology_types.mod cell_types.mod cp_para_types.mod kinds.mod string_table.mod string_utilities.mod util.mod cp_output_handling.mod base_hooks.mod fist_neighbor_lists.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_units.mod periodic_table.mod topology_util.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_pw_grid.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_pw_grid.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod qmmm_types_low.mod pw_pool_types.mod pw_env_types.mod pw_grids.mod kinds.mod base_hooks.mod input_constants.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_pw_grid.F qmmm_pw_grid.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_pw_grid.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_pw_grid.mod' due to: qmmm_pw_grid.o /build/reproducible-path/cp2k-8.1/src/qmmm_pw_grid.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod qmmm_types_low.mod pw_pool_types.mod pw_env_types.mod pw_grids.mod kinds.mod base_hooks.mod input_constants.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'colvar_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/colvar_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 colvar_types.mod distribution_1d_types.mod force_env_types.mod molecule_list_types.mod particle_types.mod molecule_kind_list_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod molecule_types.mod cp_subsys_types.mod kinds.mod message_passing.mod string_utilities.mod colvar_methods.mod util.mod base_hooks.mod rmsd.mod memory_utilities.mod input_constants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/colvar_utils.F colvar_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' colvar_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'colvar_utils.mod' due to: colvar_utils.o /build/reproducible-path/cp2k-8.1/src/colvar_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 colvar_types.mod distribution_1d_types.mod force_env_types.mod molecule_list_types.mod particle_types.mod molecule_kind_list_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod molecule_types.mod cp_subsys_types.mod kinds.mod message_passing.mod string_utilities.mod colvar_methods.mod util.mod base_hooks.mod rmsd.mod memory_utilities.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'd3_poly.mod' due to: d3_poly.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_constraint_util.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod molecule_types.mod molecule_kind_types.mod colvar_types.mod particle_types.mod cell_types.mod topology_types.mod qmmm_types_low.mod colvar_methods.mod kinds.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod colvar_utils.mod qmmm_ff_fist.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F topology_constraint_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_constraint_util.F90 -/build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F:752:85: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod qs_dispersion_types.mod ps_implicit_types.mod pw_pool_types.mod ps_wavelet_types.mod pw_env_types.mod realspace_grid_types.mod pw_grid_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod dielectric_types.mod qs_rho0_types.mod cell_types.mod qs_environment_types.mod pw_grids.mod dct.mod cp_log_handling.mod ao_util.mod pw_poisson_methods.mod pw_poisson_read_input.mod cp_output_handling.mod cube_utils.mod pw_grid_info.mod kinds.mod d3_poly.mod xc_input_constants.mod base_hooks.mod cp_realspace_grid_init.mod gaussian_gridlevels.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_env_methods.F pw_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_env_methods.F90 +/build/reproducible-path/cp2k-8.1/src/pw_env_methods.F:1028:45: - 752 | fixd_list(kk)%restraint%k0 = cons_info%fixed_mol_k0(k1loc) - | ^ -Warning: 'k1loc' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F:101:77: + 1028 | 1, (/-1, -1, -1/)) + | ^ +Warning: 'border_points' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/pw_env_methods.F:797:16: - 101 | INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & - | ^ -Warning: 'itype' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_constraint_util.mod' due to: topology_constraint_util.o /build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod molecule_types.mod molecule_kind_types.mod colvar_types.mod particle_types.mod cell_types.mod topology_types.mod qmmm_types_low.mod colvar_methods.mod kinds.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod colvar_utils.mod qmmm_ff_fist.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_restarts_util.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_restarts_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_list_types.mod input_section_types.mod input_val_types.mod cp_linked_list_input.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_restarts_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_restarts_util.mod' due to: input_cp2k_restarts_util.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_restarts_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_list_types.mod input_section_types.mod input_val_types.mod cp_linked_list_input.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_amber.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_amber.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod particle_types.mod topology_types.mod force_field_types.mod kinds.mod util.mod topology_generate_util.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod qmmm_ff_fist.mod input_cp2k_restarts_util.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_amber.F topology_amber.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:04:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_amber.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_amber.mod' due to: topology_amber.o /build/reproducible-path/cp2k-8.1/src/topology_amber.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod particle_types.mod topology_types.mod force_field_types.mod kinds.mod util.mod topology_generate_util.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod qmmm_ff_fist.mod input_cp2k_restarts_util.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_xyz.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_xyz.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod periodic_table.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_xyz.F topology_xyz.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_xyz.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_xyz.mod' due to: topology_xyz.o /build/reproducible-path/cp2k-8.1/src/topology_xyz.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod periodic_table.mod base_hooks.mod + 797 | IF (igrid_zet0_s == igrid_level) maxradius = MAX(maxradius, max_rpgf0_s) + | ^ +Warning: 'igrid_zet0_s' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/pw_env_methods.F:751:67: + + 751 | INTEGER :: handle, ibasis_set_type, igrid_level, igrid_zet0_s, ikind, ipgf, iset, ishell, & + | ^ +note: 'igrid_zet0_s' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_env_methods.mod' due to: pw_env_methods.o /build/reproducible-path/cp2k-8.1/src/pw_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod qs_dispersion_types.mod ps_implicit_types.mod pw_pool_types.mod ps_wavelet_types.mod pw_env_types.mod realspace_grid_types.mod pw_grid_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod dielectric_types.mod qs_rho0_types.mod cell_types.mod qs_environment_types.mod pw_grids.mod dct.mod cp_log_handling.mod ao_util.mod pw_poisson_methods.mod pw_poisson_read_input.mod cp_output_handling.mod cube_utils.mod pw_grid_info.mod kinds.mod d3_poly.mod xc_input_constants.mod base_hooks.mod cp_realspace_grid_init.mod gaussian_gridlevels.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:484: update target '/build/reproducible-path/cp2k-8.1/obj/git-ref' due to: FORCE -echo git:0b61f2f > "/build/reproducible-path/cp2k-8.1/obj/git-ref.tmp" -cmp "/build/reproducible-path/cp2k-8.1/obj/git-ref.tmp" "/build/reproducible-path/cp2k-8.1/obj/git-ref" || mv -f "/build/reproducible-path/cp2k-8.1/obj/git-ref.tmp" "/build/reproducible-path/cp2k-8.1/obj/git-ref" -cmp: /build/reproducible-path/cp2k-8.1/obj/git-ref: No such file or directory -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp2k_info.o' due to: /build/reproducible-path/cp2k-8.1/src/cp2k_info.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod input_constants.mod kinds.mod machine.mod string_utilities.mod /build/reproducible-path/cp2k-8.1/obj/git-ref -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp2k_info.F cp2k_info.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp2k_info.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp2k_info.mod' due to: cp2k_info.o /build/reproducible-path/cp2k-8.1/src/cp2k_info.F input_constants.mod kinds.mod machine.mod string_utilities.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewald_pw_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/ewald_pw_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_grid_types.mod dg_types.mod ewald_pw_types.mod pw_pool_types.mod pw_poisson_types.mod dg_rho0_types.mod ewald_environment_types.mod dgs.mod pw_grids.mod kinds.mod base_hooks.mod pw_poisson_read_input.mod pw_poisson_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewald_pw_methods.F ewald_pw_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewald_pw_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewald_pw_methods.mod' due to: ewald_pw_methods.o /build/reproducible-path/cp2k-8.1/src/ewald_pw_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_grid_types.mod dg_types.mod ewald_pw_types.mod pw_pool_types.mod pw_poisson_types.mod dg_rho0_types.mod ewald_environment_types.mod dgs.mod pw_grids.mod kinds.mod base_hooks.mod pw_poisson_read_input.mod pw_poisson_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_pdb.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_pdb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod cell_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp2k_info.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod qmmm_ff_fist.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_pdb.F topology_pdb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_pdb.F90 -/build/reproducible-path/cp2k-8.1/src/topology_pdb.F:317:63: - - 317 | my_local=.FALSE.) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_pdb.mod' due to: topology_pdb.o /build/reproducible-path/cp2k-8.1/src/topology_pdb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod cell_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp2k_info.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod qmmm_ff_fist.mod input_constants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_min_heap.mod' due to: cp_min_heap.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_gromos.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_gromos.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod input_cp2k_restarts_util.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_gromos.F topology_gromos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_gromos.F90 -/build/reproducible-path/cp2k-8.1/src/topology_gromos.F:280:21: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'distribution_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/distribution_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod parallel_rng_types.mod particle_types.mod molecule_kind_types.mod molecule_types.mod qs_kind_types.mod distribution_1d_types.mod basis_set_types.mod cell_types.mod cp_log_handling.mod message_passing.mod util.mod cp_min_heap.mod mathlib.mod cp_blacs_env.mod machine.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/distribution_methods.F distribution_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' distribution_methods.F90 +/build/reproducible-path/cp2k-8.1/src/distribution_methods.F:277:45: - 280 | nsolute = natom - | ^ -Warning: 'natom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_gromos.mod' due to: topology_gromos.o /build/reproducible-path/cp2k-8.1/src/topology_gromos.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod input_cp2k_restarts_util.mod + 277 | bin_price = workload_fill(ipe) + | ^ +Warning: 'ipe' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'distribution_methods.mod' due to: distribution_methods.o /build/reproducible-path/cp2k-8.1/src/distribution_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod parallel_rng_types.mod particle_types.mod molecule_kind_types.mod molecule_types.mod qs_kind_types.mod distribution_1d_types.mod basis_set_types.mod cell_types.mod cp_log_handling.mod message_passing.mod util.mod cp_min_heap.mod mathlib.mod cp_blacs_env.mod machine.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_input.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod colvar_types.mod topology_types.mod kinds.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_input.F topology_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_input.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_input.mod' due to: topology_input.o /build/reproducible-path/cp2k-8.1/src/topology_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod colvar_types.mod topology_types.mod kinds.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rs_pw_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_env/rs_pw_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod pw_pool_types.mod pw_env_types.mod realspace_grid_types.mod kinds.mod cp_log_handling.mod base_hooks.mod gaussian_gridlevels.mod pw_methods.mod cp_spline_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_env/rs_pw_interface.F rs_pw_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw_env/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rs_pw_interface.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rs_pw_interface.mod' due to: rs_pw_interface.o /build/reproducible-path/cp2k-8.1/src/pw_env/rs_pw_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod pw_pool_types.mod pw_env_types.mod realspace_grid_types.mod kinds.mod cp_log_handling.mod base_hooks.mod gaussian_gridlevels.mod pw_methods.mod cp_spline_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_fields_input.o' due to: /build/reproducible-path/cp2k-8.1/src/force_fields_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 shell_potential_types.mod force_field_types.mod pair_potential_types.mod input_section_types.mod force_field_kind_types.mod input_val_types.mod damping_dipole_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod string_utilities.mod force_fields_util.mod cp_linked_list_input.mod bibliography.mod cp_output_handling.mod base_hooks.mod mathconstants.mod cp_log_handling.mod memory_utilities.mod cp_parser_methods.mod cp_units.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_fields_input.F force_fields_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' force_fields_input.F90 -/build/reproducible-path/cp2k-8.1/src/force_fields_input.F:1289:71: - - 1289 | nonbonded%pot(start + isec)%pot%set(1)%gal%met1 = atm_names(1) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/force_fields_input.F:1290:71: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'task_list_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/task_list_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/common/array_sort.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod ao_util.mod grid_api.mod message_passing.mod util.mod particle_methods.mod cube_utils.mod memory_utilities.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/task_list_methods.F task_list_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' task_list_methods.F90 +/build/reproducible-path/cp2k-8.1/src/task_list_methods.F:1015:66: - 1290 | nonbonded%pot(start + isec)%pot%set(1)%gal%met2 = atm_names(2) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_fields_input.mod' due to: force_fields_input.o /build/reproducible-path/cp2k-8.1/src/force_fields_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 shell_potential_types.mod force_field_types.mod pair_potential_types.mod input_section_types.mod force_field_kind_types.mod input_val_types.mod damping_dipole_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod string_utilities.mod force_fields_util.mod cp_linked_list_input.mod bibliography.mod cp_output_handling.mod base_hooks.mod mathconstants.mod cp_log_handling.mod memory_utilities.mod cp_parser_methods.mod cp_units.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_psf.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_psf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod kinds.mod util.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod topology_util.mod base_hooks.mod qmmm_ff_fist.mod input_constants.mod force_fields_input.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_psf.F topology_psf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_psf.F90 -/build/reproducible-path/cp2k-8.1/src/topology_psf.F:780:81: + 1015 | ilocal, k, maxdest, Ncpu, Nflux + | ^ +Warning: 'ilocal' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/task_list_methods.F:402:46: - 780 | extension=".psf", my_local=.FALSE.) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_psf.mod' due to: topology_psf.o /build/reproducible-path/cp2k-8.1/src/topology_psf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod kinds.mod util.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod topology_util.mod base_hooks.mod qmmm_ff_fist.mod input_constants.mod force_fields_input.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_topology_util.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_topology_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_types.mod topology_types.mod molecule_types.mod qmmm_types_low.mod kinds.mod string_table.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_topology_util.F qmmm_topology_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_topology_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_topology_util.mod' due to: qmmm_topology_util.o /build/reproducible-path/cp2k-8.1/src/qmmm_topology_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_types.mod topology_types.mod molecule_types.mod qmmm_types_low.mod kinds.mod string_table.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_xtl.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_xtl.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod cell_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod cell_methods.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_xtl.F topology_xtl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_xtl.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_xtl.mod' due to: topology_xtl.o /build/reproducible-path/cp2k-8.1/src/topology_xtl.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod cell_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod cell_methods.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_cif.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_cif.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod cell_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod cell_methods.mod fparser.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_cif.F topology_cif.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_cif.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_cif.mod' due to: topology_cif.o /build/reproducible-path/cp2k-8.1/src/topology_cif.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod topology_types.mod cell_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod cell_methods.mod fparser.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_multiple_unit_cell.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_multiple_unit_cell.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod cell_types.mod kinds.mod memory_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_multiple_unit_cell.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_multiple_unit_cell.mod' due to: topology_multiple_unit_cell.o /build/reproducible-path/cp2k-8.1/src/topology_multiple_unit_cell.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod cell_types.mod kinds.mod memory_utilities.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_cp2k.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_cp2k.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod cell_types.mod topology_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod periodic_table.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_cp2k.F topology_cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology_cp2k.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_cp2k.mod' due to: topology_cp2k.o /build/reproducible-path/cp2k-8.1/src/topology_cp2k.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod cell_types.mod topology_types.mod kinds.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod periodic_table.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology.o' due to: /build/reproducible-path/cp2k-8.1/src/topology.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod colvar_types.mod particle_types.mod qmmm_types_low.mod input_section_types.mod molecule_kind_types.mod topology_types.mod cell_types.mod molecule_types.mod cp_para_types.mod kinds.mod topology_generate_util.mod string_table.mod topology_constraint_util.mod topology_amber.mod topology_xyz.mod topology_pdb.mod topology_gromos.mod cp_output_handling.mod base_hooks.mod topology_input.mod topology_psf.mod cp_log_handling.mod qmmm_topology_util.mod cell_methods.mod topology_xtl.mod input_constants.mod topology_coordinate_util.mod topology_cif.mod topology_connectivity_util.mod topology_multiple_unit_cell.mod mm_mapping_library.mod topology_cp2k.mod topology_util.mod colvar_utils.mod input_cp2k_binary_restarts.mod atoms_input.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology.F topology.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' topology.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology.mod' due to: topology.o /build/reproducible-path/cp2k-8.1/src/topology.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod colvar_types.mod particle_types.mod qmmm_types_low.mod input_section_types.mod molecule_kind_types.mod topology_types.mod cell_types.mod molecule_types.mod cp_para_types.mod kinds.mod topology_generate_util.mod string_table.mod topology_constraint_util.mod topology_amber.mod topology_xyz.mod topology_pdb.mod topology_gromos.mod cp_output_handling.mod base_hooks.mod topology_input.mod topology_psf.mod cp_log_handling.mod qmmm_topology_util.mod cell_methods.mod topology_xtl.mod input_constants.mod topology_coordinate_util.mod topology_cif.mod topology_connectivity_util.mod topology_multiple_unit_cell.mod mm_mapping_library.mod topology_cp2k.mod topology_util.mod colvar_utils.mod input_cp2k_binary_restarts.mod atoms_input.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_subsys_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_subsys_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod molecule_list_types.mod particle_types.mod qmmm_types_low.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod topology_types.mod atomic_kind_list_types.mod cell_types.mod molecule_types.mod cp_result_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod atprop_types.mod kinds.mod string_table.mod colvar_methods.mod base_hooks.mod cp_para_env.mod input_constants.mod topology_coordinate_util.mod topology_connectivity_util.mod topology_util.mod topology.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_subsys_methods.F cp_subsys_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_subsys_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_subsys_methods.mod' due to: cp_subsys_methods.o /build/reproducible-path/cp2k-8.1/src/cp_subsys_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod molecule_list_types.mod particle_types.mod qmmm_types_low.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod topology_types.mod atomic_kind_list_types.mod cell_types.mod molecule_types.mod cp_result_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod atprop_types.mod kinds.mod string_table.mod colvar_methods.mod base_hooks.mod cp_para_env.mod input_constants.mod topology_coordinate_util.mod topology_connectivity_util.mod topology_util.mod topology.mod + 402 | task_list%npairs(igrid_level) = ipair + | ^ +Warning: 'igrid_level' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'task_list_methods.mod' due to: task_list_methods.o /build/reproducible-path/cp2k-8.1/src/task_list_methods.F /build/reproducible-path/cp2k-8.1/src/common/array_sort.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod ao_util.mod grid_api.mod message_passing.mod util.mod particle_methods.mod cube_utils.mod memory_utilities.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'header.o' due to: /build/reproducible-path/cp2k-8.1/src/header.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp2k_info.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/header.F header.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' header.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'header.mod' due to: header.o /build/reproducible-path/cp2k-8.1/src/header.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp2k_info.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_integrate_potential_product.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_product.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod admm_types.mod pw_env_types.mod realspace_grid_types.mod qs_force_types.mod pw_types.mod qs_kind_types.mod task_list_types.mod virial_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod rs_pw_interface.mod grid_api.mod task_list_methods.mod cube_utils.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_product.F qs_integrate_potential_product.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:16:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_product.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_integrate_potential_product.mod' due to: qs_integrate_potential_product.o /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_product.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod admm_types.mod pw_env_types.mod realspace_grid_types.mod qs_force_types.mod pw_types.mod qs_kind_types.mod task_list_types.mod virial_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod rs_pw_interface.mod grid_api.mod task_list_methods.mod cube_utils.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_fields_ext.o' due to: /build/reproducible-path/cp2k-8.1/src/force_fields_ext.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod particle_types.mod force_field_kind_types.mod force_field_types.mod topology_amber.mod kinds.mod cp_parser_methods.mod string_utilities.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_fields_ext.F force_fields_ext.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' force_fields_ext.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_fields_ext.mod' due to: force_fields_ext.o /build/reproducible-path/cp2k-8.1/src/force_fields_ext.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod particle_types.mod force_field_kind_types.mod force_field_types.mod topology_amber.mod kinds.mod cp_parser_methods.mod string_utilities.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_integrate_potential_single.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_single.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod atprop_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod basis_set_types.mod cp_control_types.mod lri_environment_types.mod cell_types.mod qs_environment_types.mod rs_pw_interface.mod ao_util.mod grid_api.mod message_passing.mod orbital_pointers.mod memory_utilities.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_single.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_integrate_potential_single.mod' due to: qs_integrate_potential_single.o /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_single.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod atprop_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod basis_set_types.mod cp_control_types.mod lri_environment_types.mod cell_types.mod qs_environment_types.mod rs_pw_interface.mod ao_util.mod grid_api.mod message_passing.mod orbital_pointers.mod memory_utilities.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_fields.o' due to: /build/reproducible-path/cp2k-8.1/src/force_fields.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod force_field_types.mod qmmm_types_low.mod input_section_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod force_field_kind_types.mod molecule_types.mod cp_para_types.mod fist_nonbond_env_types.mod kinds.mod force_fields_util.mod cp_output_handling.mod base_hooks.mod cp_log_handling.mod input_constants.mod force_fields_input.mod cp_units.mod force_fields_ext.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_fields.F force_fields.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' force_fields.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_fields.mod' due to: force_fields.o /build/reproducible-path/cp2k-8.1/src/force_fields.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod force_field_types.mod qmmm_types_low.mod input_section_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod force_field_kind_types.mod molecule_types.mod cp_para_types.mod fist_nonbond_env_types.mod kinds.mod force_fields_util.mod cp_output_handling.mod base_hooks.mod cp_log_handling.mod input_constants.mod force_fields_input.mod cp_units.mod force_fields_ext.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_integrate_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_integrate_potential_product.mod qs_integrate_potential_single.mod grid_api.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential.F qs_integrate_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_integrate_potential.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_integrate_potential.mod' due to: qs_integrate_potential.o /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_integrate_potential_product.mod qs_integrate_potential_single.mod grid_api.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molsym.o' due to: /build/reproducible-path/cp2k-8.1/src/molsym.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathlib.mod kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/molsym.F molsym.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' molsym.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molsym.mod' due to: molsym.o /build/reproducible-path/cp2k-8.1/src/molsym.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathlib.mod kinds.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho0_ggrid.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho0_ggrid.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_rho0_types.mod qs_local_rho_types.mod cell_types.mod qs_environment_types.mod grid_api.mod message_passing.mod util.mod pw_methods.mod orbital_pointers.mod mathconstants.mod cube_utils.mod memory_utilities.mod kinds.mod base_hooks.mod qs_integrate_potential.mod qs_harmonics_atom.mod orbital_transformation_matrices.mod gaussian_gridlevels.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho0_ggrid.F qs_rho0_ggrid.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho0_ggrid.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho0_ggrid.mod' due to: qs_rho0_ggrid.o /build/reproducible-path/cp2k-8.1/src/qs_rho0_ggrid.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_rho0_types.mod qs_local_rho_types.mod cell_types.mod qs_environment_types.mod grid_api.mod message_passing.mod util.mod pw_methods.mod orbital_pointers.mod mathconstants.mod cube_utils.mod memory_utilities.mod kinds.mod base_hooks.mod qs_integrate_potential.mod qs_harmonics_atom.mod orbital_transformation_matrices.mod gaussian_gridlevels.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'spglib_f08.o' due to: /build/reproducible-path/cp2k-8.1/src/spglib_f08.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'spglib_f08.o' due to: /build/reproducible-path/cp2k-8.1/src/spglib_f08.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/spglib_f08.F spglib_f08.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' spglib_f08.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' spglib_f08.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'spglib_f08.mod' due to: spglib_f08.o /build/reproducible-path/cp2k-8.1/src/spglib_f08.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cryssym.o' due to: /build/reproducible-path/cp2k-8.1/src/cryssym.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod bibliography.mod string_utilities.mod spglib_f08.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cryssym.o' due to: /build/reproducible-path/cp2k-8.1/src/cryssym.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 spglib_f08.mod kinds.mod string_utilities.mod base_hooks.mod bibliography.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cryssym.F cryssym.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cryssym.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cryssym.mod' due to: cryssym.o /build/reproducible-path/cp2k-8.1/src/cryssym.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod bibliography.mod string_utilities.mod spglib_f08.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_symmetry.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_symmetry.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod particle_types.mod cell_types.mod kinds.mod molsym.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod cryssym.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_symmetry.F cp_symmetry.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_symmetry.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_symmetry.mod' due to: cp_symmetry.o /build/reproducible-path/cp2k-8.1/src/cp_symmetry.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod particle_types.mod cell_types.mod kinds.mod molsym.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod cryssym.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod fist_efield_types.mod distribution_1d_types.mod ewald_pw_types.mod fist_energy_types.mod fist_environment_types.mod particle_types.mod qmmm_types_low.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod molecule_types.mod multipole_types.mod cp_subsys_types.mod cp_para_types.mod fist_nonbond_env_types.mod kinds.mod ewald_pw_methods.mod distribution_methods.mod cp_subsys_methods.mod bibliography.mod cp_output_handling.mod base_hooks.mod particle_methods.mod cp_log_handling.mod header.mod force_fields.mod cell_methods.mod cp_symmetry.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_environment.F fist_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_environment.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_environment.mod' due to: fist_environment.o /build/reproducible-path/cp2k-8.1/src/fist_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod fist_efield_types.mod distribution_1d_types.mod ewald_pw_types.mod fist_energy_types.mod fist_environment_types.mod particle_types.mod qmmm_types_low.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod molecule_types.mod multipole_types.mod cp_subsys_types.mod cp_para_types.mod fist_nonbond_env_types.mod kinds.mod ewald_pw_methods.mod distribution_methods.mod cp_subsys_methods.mod bibliography.mod cp_output_handling.mod base_hooks.mod particle_methods.mod cp_log_handling.mod header.mod force_fields.mod cell_methods.mod cp_symmetry.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cryssym.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cryssym.mod' due to: cryssym.o /build/reproducible-path/cp2k-8.1/src/cryssym.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 spglib_f08.mod kinds.mod string_utilities.mod base_hooks.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_per_elpot.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_per_elpot.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_gaussian_types.mod input_section_types.mod cp_para_types.mod cell_types.mod ewald_environment_types.mod ewald_pw_types.mod qmmm_types_low.mod pw_poisson_types.mod kinds.mod ewald_spline_util.mod ao_util.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_per_elpot.F qmmm_per_elpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_per_elpot.F90 -/build/reproducible-path/cp2k-8.1/src/qmmm_per_elpot.F:187:54: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_cp2k_link.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cp2k_link.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod atomic_kind_types.mod cp_control_types.mod qs_kind_types.mod input_keyword_types.mod qs_neighbor_list_types.mod qs_ks_types.mod kinds.mod cp_dbcsr_operations.mod string_utilities.mod base_hooks.mod ao_util.mod qs_integral_utils.mod bibliography.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cp2k_link.F cp_dbcsr_cp2k_link.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_dbcsr_cp2k_link.F90 +/build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cp2k_link.F:509:13: - 187 | LG(idim) = fs*LG(idim)*1.0_dp/Vol - | ^ -Warning: 'fs' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_per_elpot.mod' due to: qmmm_per_elpot.o /build/reproducible-path/cp2k-8.1/src/qmmm_per_elpot.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_gaussian_types.mod input_section_types.mod cp_para_types.mod cell_types.mod ewald_environment_types.mod ewald_pw_types.mod qmmm_types_low.mod pw_poisson_types.mod kinds.mod ewald_spline_util.mod ao_util.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod + 509 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_cp2k_link.mod' due to: cp_dbcsr_cp2k_link.o /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cp2k_link.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod atomic_kind_types.mod cp_control_types.mod qs_kind_types.mod input_keyword_types.mod qs_neighbor_list_types.mod qs_ks_types.mod kinds.mod cp_dbcsr_operations.mod string_utilities.mod base_hooks.mod ao_util.mod qs_integral_utils.mod bibliography.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_elpot.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_elpot.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_gaussian_types.mod input_section_types.mod cell_types.mod qmmm_types_low.mod kinds.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod mathconstants.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_elpot.F qmmm_elpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_elpot.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_elpot.mod' due to: qmmm_elpot.o /build/reproducible-path/cp2k-8.1/src/qmmm_elpot.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_gaussian_types.mod input_section_types.mod cell_types.mod qmmm_types_low.mod kinds.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod mathconstants.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_gemm_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_gemm_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_gemm_interface.F cp_gemm_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_gemm_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_gemm_interface.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_gemm_interface.mod' due to: cp_gemm_interface.o /build/reproducible-path/cp2k-8.1/src/cp_gemm_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_data.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_data.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_data.F qmmm_gaussian_data.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_gaussian_data.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_data.mod' due to: qmmm_gaussian_data.o /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_data.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fermi_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/fermi_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod kahan_sum.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fermi_utils.F fermi_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fermi_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fermi_utils.mod' due to: fermi_utils.o /build/reproducible-path/cp2k-8.1/src/fermi_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod kahan_sum.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_input.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_gaussian_types.mod input_section_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod qmmm_gaussian_data.mod cp_parser_methods.mod string_utilities.mod cp_log_handling.mod base_hooks.mod mathconstants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_gaussian_input.F90 -/build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F:1079:101: - - 1079 | qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:)*rc - | ^ -Warning: 'rc' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F:654:101: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kpoint_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/kpoint_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod cp_fm_pool_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod util.mod cryssym.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod cp_para_env.mod mathconstants.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_matrix_pools.mod cp_dbcsr_operations.mod fermi_utils.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kpoint_methods.F kpoint_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kpoint_methods.F90 +/build/reproducible-path/cp2k-8.1/src/kpoint_methods.F:342:26: - 654 | qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:)*rc - | ^ -Warning: 'rc' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_input.mod' due to: qmmm_gaussian_input.o /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_gaussian_types.mod input_section_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod qmmm_gaussian_data.mod cp_parser_methods.mod string_utilities.mod cp_log_handling.mod base_hooks.mod mathconstants.mod physcon.mod + 342 | nkp_grp = npe/ngr + | ^ +Warning: 'ngr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kpoint_methods.mod' due to: kpoint_methods.o /build/reproducible-path/cp2k-8.1/src/kpoint_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod cp_fm_pool_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod util.mod cryssym.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod cp_para_env.mod mathconstants.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_matrix_pools.mod cp_dbcsr_operations.mod fermi_utils.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_init.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_gaussian_types.mod input_section_types.mod pw_pool_types.mod cp_para_types.mod pw_env_types.mod kinds.mod qmmm_gaussian_data.mod ao_util.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod qmmm_gaussian_input.mod base_hooks.mod input_constants.mod gaussian_gridlevels.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_init.F qmmm_gaussian_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_gaussian_init.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_init.mod' due to: qmmm_gaussian_init.o /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_gaussian_types.mod input_section_types.mod pw_pool_types.mod cp_para_types.mod pw_env_types.mod kinds.mod qmmm_gaussian_data.mod ao_util.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod qmmm_gaussian_input.mod base_hooks.mod input_constants.mod gaussian_gridlevels.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_oce_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod block_p_types.mod paw_proj_set_types.mod qs_kind_types.mod particle_types.mod sap_kind_types.mod qs_neighbor_list_types.mod mathconstants.mod orbital_transformation_matrices.mod kinds.mod base_hooks.mod ao_util.mod ai_overlap.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F qs_oce_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_oce_methods.F90 +/build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F:84:58: + + 84 | maxder, maxlb, maxlprj, maxnprja, maxsoa, msab, n, ncob, np_car, np_sph, nsatbas, nseta, & + | ^ +Warning: 'n' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F:548:40: + + 548 | clist%nsgf_cnt = nsgf_cnt + | ^ +Warning: 'nsgf_cnt' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_oce_methods.mod' due to: qs_oce_methods.o /build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod block_p_types.mod paw_proj_set_types.mod qs_kind_types.mod particle_types.mod sap_kind_types.mod qs_neighbor_list_types.mod mathconstants.mod orbital_transformation_matrices.mod kinds.mod base_hooks.mod ao_util.mod ai_overlap.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_init.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod shell_potential_types.mod pw_env_types.mod particle_types.mod cp_control_types.mod force_field_types.mod qs_environment_types.mod qmmm_types_low.mod pair_potential_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod cp_eri_mme_interface.mod cp_output_handling.mod base_hooks.mod qmmm_per_elpot.mod qmmm_ff_fist.mod qmmm_elpot.mod cp_log_handling.mod qmmm_gaussian_init.mod cell_methods.mod input_constants.mod force_fields_input.mod cp_units.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_init.F qmmm_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_init.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_init.mod' due to: qmmm_init.o /build/reproducible-path/cp2k-8.1/src/qmmm_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod shell_potential_types.mod pw_env_types.mod particle_types.mod cp_control_types.mod force_field_types.mod qs_environment_types.mod qmmm_types_low.mod pair_potential_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod cp_eri_mme_interface.mod cp_output_handling.mod base_hooks.mod qmmm_per_elpot.mod qmmm_ff_fist.mod qmmm_elpot.mod cp_log_handling.mod qmmm_gaussian_init.mod cell_methods.mod input_constants.mod force_fields_input.mod cp_units.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_output.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod cp_fm_types.mod atomic_kind_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod kinds.mod cp_log_handling.mod orbital_pointers.mod base_hooks.mod mathlib.mod message_passing.mod particle_methods.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_output.F cp_dbcsr_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_dbcsr_output.F90 +/build/reproducible-path/cp2k-8.1/src/cp_dbcsr_output.F:245:10: + + 245 | IF (print_sym) THEN + | ^ +Warning: 'print_sym' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_output.mod' due to: cp_dbcsr_output.o /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod cp_fm_types.mod atomic_kind_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod kinds.mod cp_log_handling.mod orbital_pointers.mod base_hooks.mod mathlib.mod message_passing.mod particle_methods.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_links_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_links_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types_low.mod kinds.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_links_methods.F qmmm_links_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_links_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_links_methods.mod' due to: qmmm_links_methods.o /build/reproducible-path/cp2k-8.1/src/qmmm_links_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types_low.mod kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_hash_table_functions.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_hash_table_functions.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_hash_table_functions.F qs_hash_table_functions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_hash_table_functions.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_hash_table_functions.mod' due to: qs_hash_table_functions.o /build/reproducible-path/cp2k-8.1/src/qs_hash_table_functions.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_pw_grid.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_pw_grid.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_env_types.mod qmmm_types_low.mod kinds.mod message_passing.mod pw_grids.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_pw_grid.F qmmm_pw_grid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_pw_grid.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_pw_grid.mod' due to: qmmm_pw_grid.o /build/reproducible-path/cp2k-8.1/src/qmmm_pw_grid.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_env_types.mod qmmm_types_low.mod kinds.mod message_passing.mod pw_grids.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_nl_hash_table_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_nl_hash_table_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod kinds.mod qs_hash_table_functions.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_nl_hash_table_types.F qs_nl_hash_table_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_nl_hash_table_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_nl_hash_table_types.mod' due to: qs_nl_hash_table_types.o /build/reproducible-path/cp2k-8.1/src/qs_nl_hash_table_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod kinds.mod qs_hash_table_functions.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rs_pw_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_env/rs_pw_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod input_section_types.mod realspace_grid_types.mod pw_types.mod pw_env_types.mod kinds.mod pw_methods.mod cp_log_handling.mod base_hooks.mod cp_spline_utils.mod gaussian_gridlevels.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_env/rs_pw_interface.F rs_pw_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/pw_env/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rs_pw_interface.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rs_pw_interface.mod' due to: rs_pw_interface.o /build/reproducible-path/cp2k-8.1/src/pw_env/rs_pw_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod input_section_types.mod realspace_grid_types.mod pw_types.mod pw_env_types.mod kinds.mod pw_methods.mod cp_log_handling.mod base_hooks.mod cp_spline_utils.mod gaussian_gridlevels.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'virial_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/virial_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod atomic_kind_list_types.mod virial_types.mod particle_list_types.mod particle_types.mod cell_types.mod cp_subsys_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod mathlib.mod message_passing.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/virial_methods.F virial_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' virial_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'virial_methods.mod' due to: virial_methods.o /build/reproducible-path/cp2k-8.1/src/virial_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod atomic_kind_list_types.mod virial_types.mod particle_list_types.mod particle_types.mod cell_types.mod cp_subsys_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod mathlib.mod message_passing.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_integrate_potential_single.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_single.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod external_potential_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod cell_types.mod virial_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod atprop_types.mod basis_set_types.mod kinds.mod ao_util.mod message_passing.mod orbital_pointers.mod gaussian_gridlevels.mod base_hooks.mod grid_api.mod memory_utilities.mod rs_pw_interface.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_integrate_potential_single.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_integrate_potential_single.mod' due to: qs_integrate_potential_single.o /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_single.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod external_potential_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod cell_types.mod virial_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod atprop_types.mod basis_set_types.mod kinds.mod ao_util.mod message_passing.mod orbital_pointers.mod gaussian_gridlevels.mod base_hooks.mod grid_api.mod memory_utilities.mod rs_pw_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod qs_nl_hash_table_types.mod sap_kind_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_rho_atom_types.mod basis_set_types.mod qs_oce_types.mod cp_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_oce_methods.mod ao_util.mod message_passing.mod util.mod virial_methods.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_atom.F qs_ks_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_atom.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_atom.mod' due to: qs_ks_atom.o /build/reproducible-path/cp2k-8.1/src/qs_ks_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod qs_nl_hash_table_types.mod sap_kind_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_rho_atom_types.mod basis_set_types.mod qs_oce_types.mod cp_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_oce_methods.mod ao_util.mod message_passing.mod util.mod virial_methods.mod kinds.mod base_hooks.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'task_list_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/task_list_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/array_sort.fypp pw_env_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod task_list_types.mod realspace_grid_types.mod basis_set_types.mod kinds.mod ao_util.mod message_passing.mod gaussian_gridlevels.mod util.mod base_hooks.mod grid_api.mod particle_methods.mod memory_utilities.mod cube_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/task_list_methods.F task_list_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' task_list_methods.F90 -/build/reproducible-path/cp2k-8.1/src/task_list_methods.F:1015:66: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho0_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_rho0_types.mod qs_local_rho_types.mod qs_environment_types.mod qs_oce_methods.mod cp_log_handling.mod ao_util.mod qs_grid_atom.mod orbital_pointers.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod orbital_transformation_matrices.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F qs_rho0_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho0_methods.F90 +/build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F:194:74: - 1015 | ilocal, k, maxdest, Ncpu, Nflux - | ^ -Warning: 'ilocal' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/task_list_methods.F:402:46: + 194 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as + | ^ +Warning: 'cpc_as.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F:194:66: - 402 | task_list%npairs(igrid_level) = ipair - | ^ -Warning: 'igrid_level' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'task_list_methods.mod' due to: task_list_methods.o /build/reproducible-path/cp2k-8.1/src/task_list_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/common/array_sort.fypp pw_env_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod task_list_types.mod realspace_grid_types.mod basis_set_types.mod kinds.mod ao_util.mod message_passing.mod gaussian_gridlevels.mod util.mod base_hooks.mod grid_api.mod particle_methods.mod memory_utilities.mod cube_utils.mod + 194 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as + | ^ +Warning: 'cpc_ah.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho0_methods.mod' due to: qs_rho0_methods.o /build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_rho0_types.mod qs_local_rho_types.mod qs_environment_types.mod qs_oce_methods.mod cp_log_handling.mod ao_util.mod qs_grid_atom.mod orbital_pointers.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod orbital_transformation_matrices.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_integrate_potential_product.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_product.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod cell_types.mod task_list_types.mod virial_types.mod realspace_grid_types.mod pw_types.mod kinds.mod gaussian_gridlevels.mod base_hooks.mod task_list_methods.mod grid_api.mod input_constants.mod cube_utils.mod rs_pw_interface.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_product.F qs_integrate_potential_product.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_integrate_potential_product.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_integrate_potential_product.mod' due to: qs_integrate_potential_product.o /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential_product.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod cell_types.mod task_list_types.mod virial_types.mod realspace_grid_types.mod pw_types.mod kinds.mod gaussian_gridlevels.mod base_hooks.mod task_list_methods.mod grid_api.mod input_constants.mod cube_utils.mod rs_pw_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho_atom_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod sap_kind_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod qs_oce_types.mod paw_proj_set_types.mod cp_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_oce_methods.mod message_passing.mod util.mod qs_grid_atom.mod orbital_pointers.mod whittaker.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod lebedev.mod spherical_harmonics.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho_atom_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho_atom_methods.mod' due to: qs_rho_atom_methods.o /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod sap_kind_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod qs_oce_types.mod paw_proj_set_types.mod cp_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_oce_methods.mod message_passing.mod util.mod qs_grid_atom.mod orbital_pointers.mod whittaker.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod lebedev.mod spherical_harmonics.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_integrate_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_integrate_potential_single.mod grid_api.mod base_hooks.mod qs_integrate_potential_product.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential.F qs_integrate_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:55 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_integrate_potential.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_integrate_potential.mod' due to: qs_integrate_potential.o /build/reproducible-path/cp2k-8.1/src/qs_integrate_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_integrate_potential_single.mod grid_api.mod base_hooks.mod qs_integrate_potential_product.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gapw_densities.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gapw_densities.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_charges_types.mod cp_control_types.mod cp_para_types.mod qs_kind_types.mod qs_rho0_types.mod qs_local_rho_types.mod qs_rho_atom_types.mod qs_environment_types.mod kinds.mod cp_log_handling.mod qs_rho0_ggrid.mod base_hooks.mod qs_rho0_methods.mod message_passing.mod qs_rho_atom_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gapw_densities.F qs_gapw_densities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gapw_densities.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gapw_densities.mod' due to: qs_gapw_densities.o /build/reproducible-path/cp2k-8.1/src/qs_gapw_densities.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_charges_types.mod cp_control_types.mod cp_para_types.mod qs_kind_types.mod qs_rho0_types.mod qs_local_rho_types.mod qs_rho_atom_types.mod qs_environment_types.mod kinds.mod cp_log_handling.mod qs_rho0_ggrid.mod base_hooks.mod qs_rho0_methods.mod message_passing.mod qs_rho_atom_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho0_ggrid.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho0_ggrid.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_rho0_types.mod cell_types.mod pw_pool_types.mod virial_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod qs_local_rho_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_transformation_matrices.mod orbital_pointers.mod gaussian_gridlevels.mod qs_harmonics_atom.mod util.mod qs_integrate_potential.mod base_hooks.mod mathconstants.mod grid_api.mod pw_methods.mod memory_utilities.mod cube_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho0_ggrid.F qs_rho0_ggrid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_rho0_ggrid.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho0_ggrid.mod' due to: qs_rho0_ggrid.o /build/reproducible-path/cp2k-8.1/src/qs_rho0_ggrid.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_rho0_types.mod cell_types.mod pw_pool_types.mod virial_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod qs_local_rho_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_transformation_matrices.mod orbital_pointers.mod gaussian_gridlevels.mod qs_harmonics_atom.mod util.mod qs_integrate_potential.mod base_hooks.mod mathconstants.mod grid_api.mod pw_methods.mod memory_utilities.mod cube_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'subcell_types.o' due to: /build/reproducible-path/cp2k-8.1/src/subcell_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cell_types.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/subcell_types.F subcell_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' subcell_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'subcell_types.mod' due to: subcell_types.o /build/reproducible-path/cp2k-8.1/src/subcell_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cell_types.mod kinds.mod util.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_neighbor_lists.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_neighbor_lists.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod distribution_1d_types.mod qs_kind_types.mod qs_dispersion_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_gcp_types.mod subcell_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod kpoint_types.mod almo_scf_types.mod molecule_types.mod distribution_2d_types.mod cp_para_types.mod qs_dftb_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod message_passing.mod string_utilities.mod util.mod cp_output_handling.mod qs_dftb_utils.mod base_hooks.mod physcon.mod cp_log_handling.mod input_constants.mod cp_units.mod periodic_table.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_neighbor_lists.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_neighbor_lists.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod qs_gcp_types.mod kpoint_types.mod external_potential_types.mod qs_dispersion_types.mod ewald_environment_types.mod particle_types.mod almo_scf_types.mod subcell_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod distribution_1d_types.mod basis_set_types.mod paw_proj_set_types.mod cp_control_types.mod cell_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod util.mod cp_units.mod cp_output_handling.mod qs_dftb_utils.mod periodic_table.mod kinds.mod base_hooks.mod physcon.mod string_utilities.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_neighbor_lists.F qs_neighbor_lists.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:05:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_neighbor_lists.F90 /build/reproducible-path/cp2k-8.1/src/qs_neighbor_lists.F:1326:43: 1326 | IF (mol_a /= mol_b) CYCLE @@ -6200,1044 +6207,4162 @@ 1158 | CPABORT("") | ^ Warning: 'otype' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_neighbor_lists.mod' due to: qs_neighbor_lists.o /build/reproducible-path/cp2k-8.1/src/qs_neighbor_lists.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod distribution_1d_types.mod qs_kind_types.mod qs_dispersion_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_gcp_types.mod subcell_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod kpoint_types.mod almo_scf_types.mod molecule_types.mod distribution_2d_types.mod cp_para_types.mod qs_dftb_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod message_passing.mod string_utilities.mod util.mod cp_output_handling.mod qs_dftb_utils.mod base_hooks.mod physcon.mod cp_log_handling.mod input_constants.mod cp_units.mod periodic_table.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'generic_shg_integrals_init.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod memory_utilities.mod base_hooks.mod mathconstants.mod orbital_pointers.mod spherical_harmonics.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/shg_int/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' generic_shg_integrals_init.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'generic_shg_integrals_init.mod' due to: generic_shg_integrals_init.o /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod memory_utilities.mod base_hooks.mod mathconstants.mod orbital_pointers.mod spherical_harmonics.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_neighbor_lists.mod' due to: qs_neighbor_lists.o /build/reproducible-path/cp2k-8.1/src/qs_neighbor_lists.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod qs_gcp_types.mod kpoint_types.mod external_potential_types.mod qs_dispersion_types.mod ewald_environment_types.mod particle_types.mod almo_scf_types.mod subcell_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod distribution_1d_types.mod basis_set_types.mod paw_proj_set_types.mod cp_control_types.mod cell_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod util.mod cp_units.mod cp_output_handling.mod qs_dftb_utils.mod periodic_table.mod kinds.mod base_hooks.mod physcon.mod string_utilities.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'construct_shg.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_int/construct_shg.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_int/construct_shg.F construct_shg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/reproducible-path/cp2k-8.1/src/shg_int/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' construct_shg.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'construct_shg.mod' due to: construct_shg.o /build/reproducible-path/cp2k-8.1/src/shg_int/construct_shg.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constants_operator.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_int/constants_operator.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_int/constants_operator.F constants_operator.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/reproducible-path/cp2k-8.1/src/shg_int/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' constants_operator.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constants_operator.mod' due to: constants_operator.o /build/reproducible-path/cp2k-8.1/src/shg_int/constants_operator.F -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 's_contract_shg.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_int/s_contract_shg.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod gamma.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_int/s_contract_shg.F s_contract_shg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/reproducible-path/cp2k-8.1/src/shg_int/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' s_contract_shg.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 's_contract_shg.mod' due to: s_contract_shg.o /build/reproducible-path/cp2k-8.1/src/shg_int/s_contract_shg.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod gamma.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'generic_shg_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod construct_shg.mod kinds.mod base_hooks.mod constants_operator.mod orbital_pointers.mod s_contract_shg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/shg_int/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' generic_shg_integrals.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'generic_shg_integrals.mod' due to: generic_shg_integrals.o /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod construct_shg.mod kinds.mod base_hooks.mod constants_operator.mod orbital_pointers.mod s_contract_shg.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_environment_init.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_environment_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod cp_control_types.mod qs_kind_types.mod lri_environment_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod bibliography.mod ao_util.mod generic_shg_integrals_init.mod base_hooks.mod mathconstants.mod generic_shg_integrals.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_environment_init.F lri_environment_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lri_environment_init.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_environment_init.mod' due to: lri_environment_init.o /build/reproducible-path/cp2k-8.1/src/lri_environment_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod cp_control_types.mod qs_kind_types.mod lri_environment_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod bibliography.mod ao_util.mod generic_shg_integrals_init.mod base_hooks.mod mathconstants.mod generic_shg_integrals.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_contraction.mod' due to: ai_contraction.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kg_vertex_coloring_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kg_environment_types.mod kinds.mod bibliography.mod cp_log_handling.mod base_hooks.mod cp_min_heap.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F kg_vertex_coloring_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kg_vertex_coloring_methods.F90 -/build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F:201:54: - - 201 | IF (newcolor .GT. ncolors) ncolors = newcolor - | ^ -Warning: 'newcolor' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F:174:89: - - 174 | INTEGER :: color, handle, i, j, newcolor, & - | ^ -note: 'newcolor' was declared here -/build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F:120:36: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_overlap.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_overlap.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod particle_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod basis_set_types.mod block_p_types.mod cp_control_types.mod qs_neighbor_list_types.mod ai_contraction.mod ai_overlap.mod virial_methods.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod particle_methods.mod orbital_symbols.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod string_utilities.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_overlap.F qs_overlap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_overlap.F90 +/build/reproducible-path/cp2k-8.1/src/qs_overlap.F:312:46: - 120 | nneighbors = nneighbors + 1 - | ^ -Warning: 'nneighbors' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F:77:81: + 312 | !$OMP REDUCTION (+ : pv_thread, force_thread ) + | ^ +Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_overlap.F:312:46: Warning: 'use_cell_mapping' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_overlap.F:522:10: - 77 | maxdegree, nneighbors, nnodes - | ^ -note: 'nneighbors' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kg_vertex_coloring_methods.mod' due to: kg_vertex_coloring_methods.o /build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kg_environment_types.mod kinds.mod bibliography.mod cp_log_handling.mod base_hooks.mod cp_min_heap.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kg_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/kg_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod integration_grid_types.mod external_potential_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod molecule_types.mod distribution_2d_types.mod task_list_types.mod cp_para_types.mod kg_environment_types.mod basis_set_types.mod kinds.mod message_passing.mod string_utilities.mod util.mod bibliography.mod cp_files.mod qs_neighbor_lists.mod lri_environment_init.mod base_hooks.mod cp_log_handling.mod input_constants.mod kg_vertex_coloring_methods.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kg_environment.F kg_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kg_environment.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kg_environment.mod' due to: kg_environment.o /build/reproducible-path/cp2k-8.1/src/kg_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod integration_grid_types.mod external_potential_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod molecule_types.mod distribution_2d_types.mod task_list_types.mod cp_para_types.mod kg_environment_types.mod basis_set_types.mod kinds.mod message_passing.mod string_utilities.mod util.mod bibliography.mod cp_files.mod qs_neighbor_lists.mod lri_environment_init.mod base_hooks.mod cp_log_handling.mod input_constants.mod kg_vertex_coloring_methods.mod qs_grid_atom.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_subsys_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_subsys_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod qs_subsys_types.mod atom_types.mod external_potential_types.mod molecule_kind_types.mod cp_para_types.mod cell_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod base_hooks.mod cell_methods.mod cp_subsys_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_subsys_methods.F qs_subsys_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_subsys_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_subsys_methods.mod' due to: qs_subsys_methods.o /build/reproducible-path/cp2k-8.1/src/qs_subsys_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod qs_subsys_types.mod atom_types.mod external_potential_types.mod molecule_kind_types.mod cp_para_types.mod cell_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod base_hooks.mod cell_methods.mod cp_subsys_methods.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_gemm_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_gemm_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod message_passing.mod string_utilities.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_gemm_interface.F cp_gemm_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_gemm_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_gemm_interface.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_gemm_interface.mod' due to: cp_gemm_interface.o /build/reproducible-path/cp2k-8.1/src/cp_gemm_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod message_passing.mod string_utilities.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod cp_fm_basic_linalg.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_diag.mod' due to: cp_fm_diag.o + 522 | IF (dokp) THEN + | ^ +Warning: 'dokp' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_overlap.mod' due to: qs_overlap.o /build/reproducible-path/cp2k-8.1/src/qs_overlap.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod particle_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod basis_set_types.mod block_p_types.mod cp_control_types.mod qs_neighbor_list_types.mod ai_contraction.mod ai_overlap.mod virial_methods.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod particle_methods.mod orbital_symbols.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod string_utilities.mod qs_integral_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dkh_main.o' due to: /build/reproducible-path/cp2k-8.1/src/dkh_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_environment_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod cp_blacs_env.mod cp_fm_diag.mod cp_fm_struct.mod base_hooks.mod cp_fm_basic_linalg.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dkh_main.F dkh_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dkh_main.F90 -/build/reproducible-path/cp2k-8.1/src/dkh_main.F:101:37: - - 101 | SUBROUTINE DKH_full_transformation(qs_env, matrix_s, matrix_v, matrix_t, matrix_pVp, n, dkh_order) - | ^ -Warning: 'dkh_full_transformation' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/dkh_main.F:746:20: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dispersion_nonloc.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod virial_types.mod qs_dispersion_types.mod mathconstants.mod cp_files.mod kinds.mod base_hooks.mod input_constants.mod pw_methods.mod bibliography.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dispersion_nonloc.F90 +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:674:102: - 746 | SUBROUTINE even4a(n, ev4, e1, pe1p, vv, gg) - | ^ -Warning: 'even4a' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dkh_main.mod' due to: dkh_main.o /build/reproducible-path/cp2k-8.1/src/dkh_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_environment_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod cp_blacs_env.mod cp_fm_diag.mod cp_fm_struct.mod base_hooks.mod cp_fm_basic_linalg.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_operators.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_operators.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atom_types.mod ai_onecenter.mod kinds.mod dkh_main.mod physcon.mod periodic_table.mod base_hooks.mod atom_utils.mod mathconstants.mod qs_grid_atom.mod input_constants.mod lapack.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_operators.F atom_operators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_operators.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_operators.mod' due to: atom_operators.o /build/reproducible-path/cp2k-8.1/src/atom_operators.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atom_types.mod ai_onecenter.mod kinds.mod dkh_main.mod physcon.mod periodic_table.mod base_hooks.mod atom_utils.mod mathconstants.mod qs_grid_atom.mod input_constants.mod lapack.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_functionals_utilities.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_functionals_utilities.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_functionals_utilities.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_functionals_utilities.F:68:31: + 674 | virial_thread(l, m) = virial_thread(l, m) - gm*(grid%g(l, ig)*grid%g(m, ig))/g + | ^ +Warning: 'g' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:598:61: - 68 | SUBROUTINE setup_calculation(order, m, calc, tag) - | ^ -Warning: 'setup_calculation' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_functionals_utilities.mod' due to: xc_functionals_utilities.o /build/reproducible-path/cp2k-8.1/src/xc/xc_functionals_utilities.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_perdew_wang.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.fypp xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod xc_input_constants.mod base_hooks.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F xc_perdew_wang.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_perdew_wang.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:632:65: + 598 | REAL(KIND=dp) :: g, g2, g2_last, g_multiplier, gm + | ^ +note: 'g' was declared here +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:854:32: - 632 | + trz*r(1)*z(0, 2) + tzz*z(0, 2)*z(1, 0) + tz*z(1, 2) - | ^ -Warning: 'tzz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:496:63: + 854 | IF (use_virial .AND. ABS(prefactor) > 0.0_dp) THEN + | ^ +Warning: 'prefactor' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:760:84: - 496 | tzz, tzzz - | ^ -note: 'tzz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:603:56: + 760 | dq_6, e, f, P, prefactor, tmp_1_2, & + | ^ +note: 'prefactor' was declared here +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:1051:105: - 603 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) - | ^ -Warning: 'trz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:89: + 1051 | dq0_dgradrho(i_grid) = total_rho(i_grid)*dq0_dq*2.0_dp*(-Z_ab)/(36.0_dp*kF*total_rho(i_grid)**2) + | ^ +Warning: 'z_ab' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:975:86: - 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:603:56: + 975 | q_min, r_s, sqrt_r_s, Z_ab + | ^ +note: 'z_ab' was declared here +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:1189:118: - 603 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) - | ^ -Warning: 'trr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:72: + 1189 | *(gradient_rho(i_grid, 1)**2 + gradient_rho(i_grid, 2)**2 + gradient_rho(i_grid, 3)**2) + | ^ +Warning: 'z_ab' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:1158:86: - 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trr' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:598:41: + 1158 | q_min, r_s, sqrt_r_s, Z_ab + | ^ +note: 'z_ab' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dispersion_nonloc.mod' due to: qs_dispersion_nonloc.o /build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod virial_types.mod qs_dispersion_types.mod mathconstants.mod cp_files.mod kinds.mod base_hooks.mod input_constants.mod pw_methods.mod bibliography.mod message_passing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xpbe_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xpbe_hole_t_c_lr.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 598 | ed(m + 1) = tr*r(1) + tz*z(0, 1) - | ^ -Warning: 'tz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:99: + 1058 | Clda)*sx + | ^ +Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'tz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:597:37: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't89' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1070:24: - 597 | ed(m) = tr*r(1) + tz*z(1, 0) - | ^ -Warning: 'tr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:67: + 1070 | t586 = t86*t225 + | ^ +Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1020:32: - 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'tr' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:638:53: + 1020 | t352 = 0.1e1_dp/t85/t33 + | ^ +Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 638 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) - | ^ -Warning: 'tzzz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:496:69: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: Warning: 't83' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 496 | tzz, tzzz - | ^ -note: 'tzzz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:624:65: + 1058 | Clda)*sx + | ^ +Warning: 't81' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1031:23: - 624 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) - | ^ -Warning: 'trzz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:95: + 1031 | t415 = t79*t21 + | ^ +Warning: 't79' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1066:38: - 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trzz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:616:53: + 1066 | t531 = F1*t235*t34 - t77*t529 + | ^ +Warning: 't77' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 616 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'trrz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:84: + 1058 | Clda)*sx + | ^ +Warning: 't75' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1034:23: - 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trrz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:616:53: + 1034 | t461 = t74*t21 + | ^ +Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 616 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'trrr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:78: + 1058 | Clda)*sx + | ^ +Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trrr' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_perdew_wang.mod' due to: xc_perdew_wang.o /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.fypp xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod xc_input_constants.mod base_hooks.mod xc_functionals_utilities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbecke88.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod cp_array_utils.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88.F xc_xbecke88.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_xbecke88.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbecke88.mod' due to: xc_xbecke88.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod cp_array_utils.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbecke88_lr_adiabatic.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod cp_array_utils.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:06:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_xbecke88_lr_adiabatic.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 4613 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't997' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:30: + 1058 | Clda)*sx + | ^ +Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't58' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1008:22: - 3175 | t99, t991, t995, t997, xx - | ^ -note: 't997' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5160:54: + 1008 | t305 = t56**2 + | ^ +Warning: 't56' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 5160 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 - | ^ -Warning: 't995' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:24: + 1058 | Clda)*sx + | ^ +Warning: 't52' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1007:28: - 3175 | t99, t991, t995, t997, xx - | ^ -note: 't995' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: + 1007 | t299 = 0.1e1_dp/t51 + | ^ +Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:978:47: - 4613 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't991' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:18: + 978 | t211 = 0.2e1_dp/0.3e1_dp*t50*t93*t7*t4 + | ^ +Warning: 't50' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 3175 | t99, t991, t995, t997, xx - | ^ -note: 't991' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5031:34: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 5031 | *t105*t5118 + 1058 | Clda)*sx | ^ -Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:12: - - 3175 | t99, t991, t995, t997, xx - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: +Warning: 't44' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 4613 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't987' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:95: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:996:27: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't987' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: + 996 | *t37*t248 + | ^ +Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 4603 | *t3339 - | ^ -Warning: 't984' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:89: + 1058 | Clda)*sx + | ^ +Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't984' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't34' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1002:45: - 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't980' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:77: + 1002 | t280 = 0.1e1_dp/t21*t33*t276*t1*t278 + | ^ +Warning: 't33' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:976:59: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't980' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5190:50: + 976 | t204 = 4*t193*t185 + 5*t196*t197 + 6*t200*t31*t174 + | ^ +Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:991:24: - 5190 | t5564 = 0.1173333333e3_dp*t5060*t98 - | ^ -Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:71: + 991 | t242 = t27*t225 + | ^ +Warning: 't27' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + 1028 | t406 = t25*t31 + | ^ +Warning: 't25' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:985:54: - 4637 | *t339*t969 - | ^ -Warning: 't976' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:60: + 985 | *t41 - 0.9e1_dp/0.4e1_dp*t22*t221*t204 + | ^ +Warning: 't22' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1034:23: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't976' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: + 1034 | t461 = t74*t21 + | ^ +Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:988:24: - 4629 | *t321*t953*t1625 - | ^ -Warning: 't974' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:48: + 988 | t232 = t19*t225 + | ^ +Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1014:22: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't974' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + 1014 | t330 = g4*t17 + | ^ +Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 4637 | *t339*t969 - | ^ -Warning: 't973' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:42: + 1058 | Clda)*sx + | ^ +Warning: 't158' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't973' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3510:30: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't155' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 3510 | t627 = t97*t132 - | ^ -Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:30: + 1058 | Clda)*sx + | ^ +Warning: 't152' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't151' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1009:34: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + 1009 | t307 = 0.1e1_dp/t305*t150 + | ^ +Warning: 't150' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 4637 | *t339*t969 - | ^ -Warning: 't969' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:25: + 1058 | Clda)*sx + | ^ +Warning: 't146' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't143' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't969' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't142' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't966' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:19: + 1058 | Clda)*sx + | ^ +Warning: 't140' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't966' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't14' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 4603 | *t3339 - | ^ -Warning: 't963' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:13: + 1058 | Clda)*sx + | ^ +Warning: 't138' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't963' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't135' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 4637 | *t339*t969 - | ^ -Warning: 't962' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:92: + 1058 | Clda)*sx + | ^ +Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't962' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't130' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:987:24: - 4603 | *t3339 - | ^ -Warning: 't959' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:86: + 987 | t229 = t13*t225 + | ^ +Warning: 't13' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't959' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + 1058 | Clda)*sx + | ^ +Warning: 't127' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't126' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't122' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:999:28: - 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't955' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:74: + 999 | t272 = t268/t12/t13 + | ^ +Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't955' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5201:56: + 1058 | Clda)*sx + | ^ +Warning: 't119' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 5201 | t5593 = 0.1066666667e2_dp*t321*t953*t5087 - | ^ -Warning: 't953' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:62: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't953' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + 1058 | Clda)*sx + | ^ +Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 4637 | *t339*t969 - | ^ -Warning: 't950' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:56: + 1090 | *t155)*Clda)*sx + | ^ +Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:965:23: - 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't950' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3383:38: + 965 | t183 = t12*t11 + | ^ +Warning: 't11' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - 3383 | t341 = 0.1e1_dp/t19/t95 - | ^ -Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:50: + 1058 | Clda)*sx + | ^ +Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + 1090 | *t155)*Clda)*sx | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5207:56: +Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:653:49: - 5207 | t5607 = 0.5866666667e2_dp*t307*t949*t5069 - | ^ -Warning: 't949' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:45: + 653 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 + | ^ +Warning: 't14' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: - 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't949' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + 779 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:696:42: - 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't946' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:39: + 696 | *(t262 - t235*t41*t248)) + | ^ +Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: - 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't946' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: + 779 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:709:29: - 4629 | *t321*t953*t1625 - | ^ -Warning: 't941' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:76: + 709 | t475 = t473*t87*t218 + | ^ +Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:701:23: - 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't941' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4615:31: + 701 | t429 = t86*t56 + | ^ +Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:696:42: - 4615 | t3682 = t24*t940 - | ^ -Warning: 't940' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:70: + 696 | *(t262 - t235*t41*t248)) + | ^ +Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:696:42: Warning: 't77' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:722:23: - 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't940' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4238:70: + 722 | t541 = t73*t21 + | ^ +Warning: 't73' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:772:38: - 4238 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 - | ^ -Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:64: + 772 | t677 = F1*t279*t34 - t71*t675 + | ^ +Warning: 't71' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + 767 | Clda)*sx + | ^ +Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 4637 | *t339*t969 - | ^ -Warning: 't930' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:59: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't930' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5189:50: + 767 | Clda)*sx + | ^ +Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't58' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:701:23: - 5189 | t5562 = 0.5866666667e2_dp*t93*t4820 - | ^ -Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:53: + 701 | t429 = t86*t56 + | ^ +Warning: 't56' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + 767 | Clda)*sx + | ^ +Warning: 't52' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: - 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't929' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:48: + 779 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:645:48: - 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + 645 | t255 = 0.2e1_dp/0.3e1_dp*t50*t125*t7*t4 | ^ -note: 't929' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4665:39: - - 4665 | *t165*t3865*t237 - | ^ -Warning: 't922' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:30: +Warning: 't50' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't922' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3362:29: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3362 | t298 = t92*t97 - | ^ -Warning: 't92' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:24: + 767 | Clda)*sx + | ^ +Warning: 't44' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:628:24: - 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + 628 | t217 = t216*t40 | ^ -note: 't92' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4851:39: - - 4851 | *t289*t294*t1553 - | ^ -Warning: 't918' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:19: +Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:664:27: - 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't918' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4859:42: + 664 | *t37*t292 + | ^ +Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 4859 | *t83*t45*t3581*t140 - | ^ -Warning: 't914' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:13: + 767 | Clda)*sx + | ^ +Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:658:24: - 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't914' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4798:66: + 658 | t280 = t279*t34 + | ^ +Warning: 't34' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:705:33: - 4798 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't907' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:94: + 705 | t445 = 0.1e1_dp/t117/t33 + | ^ +Warning: 't33' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:720:25: - 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't907' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4651:71: + 720 | t533 = t25*t31*C + | ^ +Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:643:63: - 4651 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 - | ^ -Warning: 't906' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:88: + 643 | t248 = 4*t237*t229 + 5*t240*t27*t218 + 6*t244*t31*t218 + | ^ +Warning: 't27' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:720:25: - 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't906' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3961:39: + 720 | t533 = t25*t31*C + | ^ +Warning: 't25' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:653:49: - 3961 | t1640 = 0.1e1_dp/t787/t9 - | ^ -Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:76: + 653 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 + | ^ +Warning: 't22' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:715:24: - 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5442:57: + 715 | t504 = t429*t21 + | ^ +Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 5442 | t6216 = 0.8333333340e-1_dp*t429*t897*t4701 - | ^ -Warning: 't897' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:72: + 767 | Clda)*sx + | ^ +Warning: 't202' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't897' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't199' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 4870 | t3869 + t4657 + t4696) - | ^ -Warning: 't893' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:60: + 767 | Clda)*sx + | ^ +Warning: 't196' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't195' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:676:34: - 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't893' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4719:70: + 676 | t349 = 0.1e1_dp/t347*t194 + | ^ +Warning: 't194' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 4719 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't886' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:48: + 767 | Clda)*sx + | ^ +Warning: 't190' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:704:24: - 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't886' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4719:70: + 704 | t437 = t227*t19 + | ^ +Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 4719 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't882' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:42: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't187' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't882' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3521:49: + 767 | Clda)*sx + | ^ +Warning: 't183' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't181' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 3521 | *t615 - 0.20e1_dp*t102*t646 - | ^ -Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:30: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't178' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4782:66: + 767 | Clda)*sx + | ^ +Warning: 't177' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't176' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 4782 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't878' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:25: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't175' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't878' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: + 767 | Clda)*sx + | ^ +Warning: 't173' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't874' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:13: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't170' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:641:22: - 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't874' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3517:73: + 641 | t240 = a4*t17 + | ^ +Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3517 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ -Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:93: + 767 | Clda)*sx + | ^ +Warning: 't167' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't164' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't163' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't159' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't156' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4726:37: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't155' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 4726 | *t58*t3796*t71 - | ^ -Warning: 't866' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:82: + 767 | Clda)*sx + | ^ +Warning: 't152' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't150' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't866' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4755:41: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't147' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: Warning: 't144' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:781:25: - 4755 | t192*t68*t4256*t65 - | ^ -Warning: 't865' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:76: + 781 | t720 = t143*t269 + | ^ +Warning: 't143' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't865' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4712:66: + 767 | Clda)*sx + | ^ +Warning: 't142' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't140' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 4712 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 - | ^ -Warning: 't864' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:70: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't136' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't864' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: + 767 | Clda)*sx + | ^ +Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:655:24: - 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't863' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:64: + 655 | t273 = t13*t269 + | ^ +Warning: 't13' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't863' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4497:80: + 767 | Clda)*sx + | ^ +Warning: 't129' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:644:34: - 4497 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 - | ^ -Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:52: + 644 | t251 = t236*t125*t37*t248 + | ^ +Warning: 't125' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4747:29: + 767 | Clda)*sx + | ^ +Warning: 't123' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 4747 | *t3382 - | ^ -Warning: 't859' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:47: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't121' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: - 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't859' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4559:56: + 779 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:788:25: - 4559 | t3497 = 0.2400000000e2_dp*t473*t852*t1483 - | ^ -Warning: 't852' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:29: + 788 | t808 = t118*t269 + | ^ +Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:705:33: - 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't852' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4238:70: + 705 | t445 = 0.1e1_dp/t117/t33 + | ^ +Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:729:25: - 4238 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 - | ^ -Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:17: + 729 | t612 = t429*t116 + | ^ +Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3485:108: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - 3485 | t46*t541))*sx - | ^ -Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:12: + 767 | Clda)*sx + | ^ +Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:681:23: - 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4833:71: + 681 | t373 = t73*t11 + | ^ +Warning: 't11' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - 4833 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't833' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:94: + 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:710:30: - 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't833' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5426:37: + 710 | t479 = t108*t429*t331 + | ^ +Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:708:25: - 5426 | t6175 = t83*t597*t1688 - | ^ -Warning: 't83' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:88: + 708 | t473 = t424*t107 + | ^ +Warning: 't107' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:667:30: - 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4555:38: + 667 | t314 = t312*t106*t107 + | ^ +Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:726:25: - 4555 | t165*t171*t3449 - | ^ -Warning: 't827' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:83: + 726 | t603 = t437*t105 + | ^ +Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:724:29: - 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't827' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4682:40: + 724 | t581 = t64*t118*t103 + | ^ +Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xpbe_hole_t_c_lr.mod' due to: xc_xpbe_hole_t_c_lr.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbecke_roussel.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbecke_roussel.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2472:31: - 4682 | *t400*t1333*t1410 - | ^ -Warning: 't822' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:71: + 2472 | t305 = t99*t271*R*t302 + | ^ +Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2304:36: - 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't822' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4555:38: + 2304 | t9, t91, t94, t97, t98, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2578:28: - 4555 | t165*t171*t3449 - | ^ -Warning: 't815' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:65: + 2578 | t614 = t43*t612*t98 + | ^ +Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2304:31: - 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't815' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: + 2304 | t9, t91, t94, t97, t98, t99 + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2572:34: - 4870 | t3869 + t4657 + t4696) - | ^ -Warning: 't804' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:59: + 2572 | + t36*t37/0.4e1_dp + | ^ +Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2304:11: - 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't804' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + 2304 | t9, t91, t94, t97, t98, t99 + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2477:24: - 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't801' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:53: + 2477 | t318 = t123*t81 + | ^ +Warning: 't81' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:81: - 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't801' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't81' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2479:28: - 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't800' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:47: + 2479 | t330 = t179*t80*t98 + | ^ +Warning: 't80' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:76: - 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't800' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3558:118: + 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2572:34: - 3558 | *t83*t653 - 0.2222222224e0_dp*t144*t46*t739))*sx - | ^ + 2572 | + t36*t37/0.4e1_dp + | ^ Warning: 't8' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:41: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:71: - 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ + 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ note: 't8' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4536:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2435:25: - 4536 | t12*t1058 - | ^ -Warning: 't797' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:37: + 2435 | t215 = t76*gamma + | ^ +Warning: 't76' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:62: - 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't797' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3485:108: + 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2542:24: - 3485 | t46*t541))*sx - | ^ -Warning: 't79' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:95: + 2542 | t504 = t74*t227 + | ^ +Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:57: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't79' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4879:42: + 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2434:22: - 4879 | t4721 = 0.1e1_dp/t787*t2480 - | ^ -Warning: 't787' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:90: + 2434 | t213 = t7*t54 + | ^ +Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:37: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't787' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4927:59: + 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2430:25: - 4927 | - 0.2400000000e2_dp*t786/t2492*t1058 - | ^ -Warning: 't786' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:84: + 2430 | t205 = t66*gamma + | ^ +Warning: 't66' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2302:58: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't786' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4536:32: + 2302 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2440:32: - 4536 | t12*t1058 + 2440 | t227 = 0.1e1_dp/t65/t29 | ^ -Warning: 't782' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:72: +Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2302:35: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't782' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4516:85: + 2302 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2540:23: - 4516 | + t3288) - | ^ -Warning: 't78' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:66: + 2540 | t500 = t64*t76 + | ^ +Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2302:18: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't78' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4670:32: + 2302 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2439:22: - 4670 | t3925 = t777*t561 - | ^ -Warning: 't777' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:61: + 2439 | t224 = t6*t63 + | ^ +Warning: 't63' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2301:96: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't777' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: + 2301 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & + | ^ +note: 't63' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2412:22: - 4603 | *t3339 - | ^ -Warning: 't773' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:49: + 2412 | t161 = t6*rho + | ^ +Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2301:51: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't773' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: + 2301 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2413:25: - 4629 | *t321*t953*t1625 - | ^ -Warning: 't772' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:43: + 2413 | t163 = t57*gamma + | ^ +Warning: 't57' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2301:12: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't772' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + 2301 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & + | ^ +note: 't57' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2538:23: - 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't769' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:37: + 2538 | t496 = t55*t66 + | ^ +Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2300:81: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't769' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4542:57: + 2300 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2437:26: - 4542 | *t102*t3363 - 0.20e1_dp*t102*t3379 - | ^ -Warning: 't766' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:31: + 2437 | t220 = t6*t54*t27 + | ^ +Warning: 't54' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2300:58: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't766' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: + 2300 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2425:22: - 4613 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't764' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:19: + 2425 | t187 = t7*t45 + | ^ +Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2298:69: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't764' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: + 2298 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2475:21: - 4870 | t3869 + t4657 + t4696) - | ^ -Warning: 't754' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:13: + 2475 | t310 = R*t43 + | ^ +Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2298:35: - 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't754' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: + 2298 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2420:28: - 4870 | t3869 + t4657 + t4696) - | ^ -Warning: 't753' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:95: + 2420 | t179 = 0.1e1_dp/t41 + | ^ +Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2297:87: - 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't753' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4884:55: + 2297 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2533:31: - 4884 | t4732 = 0.6666666672e0_dp*t747*t84*t4729 - | ^ -Warning: 't747' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:89: + 2533 | - t36*t37*gamma + | ^ +Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2297:30: - 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't747' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3433:29: + 2297 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2533:31: - 3433 | t446 = t74*rho - | ^ -Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:83: + 2533 | - t36*t37*gamma + | ^ +Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2296:97: - 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3991:31: + 2296 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2409:28: - 3991 | t1694 = t45*t739 - | ^ -Warning: 't739' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:78: + 2409 | t154 = 0.1e1_dp/t35 + | ^ +Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2296:74: - 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't739' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4791:39: + 2296 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2427:25: - 4791 | *t429*t1928*t290 + 2427 | t192 = t30*gamma + | ^ +Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2295:39: + + 2295 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 | ^ -Warning: 't735' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:72: +note: 't30' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2440:32: - 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't735' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5379:33: + 2440 | t227 = 0.1e1_dp/t65/t29 + | ^ +Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2295:18: - 5379 | t6053 = t732*t6052 - | ^ -Warning: 't732' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:66: + 2295 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2536:23: - 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't732' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5344:51: + 2536 | t492 = t28*t57 + | ^ +Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2294:80: - 5344 | t5977 = 0.1111111112e0_dp*t1755*t729 - | ^ -Warning: 't729' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:60: + 2294 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2437:26: - 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't729' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4712:66: + 2437 | t220 = t6*t54*t27 + | ^ +Warning: 't27' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2294:51: - 4712 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 - | ^ -Warning: 't728' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:54: + 2294 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2471:42: - 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't728' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5386:33: + 2471 | *t110*t275 - t109*t112/t26 + | ^ +Warning: 't26' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2294:34: + + 2294 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2419:49: + + 2419 | *t4*t144*t19 - t175*t151/0.8e1_dp + | ^ +Warning: 't20' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2292:75: + + 2292 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & + | ^ +note: 't20' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2419:49: + + 2419 | *t4*t144*t19 - t175*t151/0.8e1_dp + | ^ +Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2292:48: + + 2292 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2601:66: + + 2601 | *t271*t650/0.24e2_dp)*sx + | ^ +Warning: 't138' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:37: + + 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + | ^ +note: 't138' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2490:76: + + 2490 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx + | ^ +Warning: 't136' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:31: + + 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + | ^ +note: 't136' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2490:76: + + 2490 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx + | ^ +Warning: 't134' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:25: + + 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + | ^ +note: 't134' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2490:76: + + 2490 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx + | ^ +Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:19: + + 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2599:36: + + 2599 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't131' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:13: + + 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + | ^ +note: 't131' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2471:42: + + 2471 | *t110*t275 - t109*t112/t26 + | ^ +Warning: 't13' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:89: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: + + 2487 | - 0.4e1_dp*t337*t131 + | ^ +Warning: 't128' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:84: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't128' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2599:36: + + 2599 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't126' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:78: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2467:25: + + 2467 | t292 = t180*t125 + | ^ +Warning: 't125' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:72: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't125' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: + + 2487 | - 0.4e1_dp*t337*t131 + | ^ +Warning: 't124' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:66: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't124' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: + + 2487 | - 0.4e1_dp*t337*t131 + | ^ +Warning: 't123' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:60: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2591:28: + + 2591 | *t653)*t121 + | ^ +Warning: 't121' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:54: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2442:24: + + 2442 | t229 = t228*t12 + | ^ +Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:48: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2450:25: + + 2450 | t235 = t234*t118 + | ^ +Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:37: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2599:36: + + 2599 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:31: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: + + 2487 | - 0.4e1_dp*t337*t131 + | ^ +Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:25: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2460:34: + + 2460 | t270 = 0.1e1_dp/t115/t114 + | ^ +Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:19: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2460:34: + + 2460 | t270 = 0.1e1_dp/t115/t114 + | ^ +Warning: 't114' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:13: + + 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2471:42: + + 2471 | *t110*t275 - t109*t112/t26 + | ^ +Warning: 't112' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:97: + + 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't112' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2588:26: + + 2588 | *t110*t275 + | ^ +Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:85: + + 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2588:26: + + 2588 | *t110*t275 + | ^ +Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:79: + + 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2464:30: + + 2464 | t280 = t102*t103*t108 + | ^ +Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:73: + + 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2465:23: + + 2465 | t285 = t106**2 + | ^ +Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:67: + + 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2466:25: + + 2466 | t287 = t105/t285 + | ^ +Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:61: + + 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2462:35: + + 2462 | t274 = t101*t104*t108*t110 + | ^ +Warning: 't104' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:55: + + 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't104' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2464:30: + + 2464 | t280 = t102*t103*t108 + | ^ +Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:49: + + 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2464:30: + + 2464 | t280 = t102*t103*t108 + | ^ +Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:43: + + 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2462:35: + + 2462 | t274 = t101*t104*t108*t110 + | ^ +Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:37: + + 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2118:33: + + 2118 | t301 = t99*t299/0.3e1_dp + | ^ +Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:95: + + 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2231:28: + + 2231 | t614 = t43*t612*t98 + | ^ +Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:90: + + 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2225:34: + + 2225 | + t36*t37/0.4e1_dp + | ^ +Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:70: + + 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2102:29: + + 2102 | t259 = t81*t231*t257 + | ^ +Warning: 't81' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:51: + + 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't81' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2124:24: + + 2124 | t312 = t80*t231 + | ^ +Warning: 't80' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:46: + + 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2225:34: + + 2225 | + t36*t37/0.4e1_dp + | ^ +Warning: 't8' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:41: + + 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2080:25: + + 2080 | t211 = t76*gamma + | ^ +Warning: 't76' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:32: + + 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2192:24: + + 2192 | t502 = t74*t223 + | ^ +Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:27: + + 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2079:22: + + 2079 | t209 = t7*t54 + | ^ +Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1952:94: + + 1952 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2075:25: + + 2075 | t201 = t66*gamma + | ^ +Warning: 't66' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1952:55: + + 1952 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2085:32: + + 2085 | t223 = 0.1e1_dp/t65/t29 + | ^ +Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1952:26: + + 1952 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2190:23: + + 2190 | t498 = t64*t76 + | ^ +Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1951:70: + + 1951 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2084:22: + + 2084 | t220 = t6*t63 + | ^ +Warning: 't63' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1951:47: + + 1951 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 + | ^ +note: 't63' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2059:22: + + 2059 | t162 = t6*rho + | ^ +Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1950:80: + + 1950 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2060:25: + + 2060 | t164 = t57*gamma + | ^ +Warning: 't57' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1950:53: + + 1950 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & + | ^ +note: 't57' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2188:23: + + 2188 | t494 = t55*t66 + | ^ +Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1950:24: + + 1950 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2082:26: + + 2082 | t216 = t6*t54*t27 + | ^ +Warning: 't54' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1949:82: + + 1949 | t502, t503, t506, t508, t519, t52, t521, t523, t524, t526, t527, t53, t54, t543, t545, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2070:22: + + 2070 | t183 = t7*t45 + | ^ +Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1947:81: + + 1947 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2094:28: + + 2094 | t230 = t43*t228*t98 + | ^ +Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1947:35: + + 1947 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2067:28: + + 2067 | t180 = 0.1e1_dp/t41 + | ^ +Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1946:93: + + 1946 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2183:31: + + 2183 | - t36*t37*gamma + | ^ +Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1946:24: + + 1946 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2183:31: + + 2183 | - t36*t37*gamma + | ^ +Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1945:85: + + 1945 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2056:28: + + 2056 | t155 = 0.1e1_dp/t35 + | ^ +Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1945:62: + + 1945 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2072:25: + + 2072 | t188 = t30*gamma + | ^ +Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1944:28: + + 1944 | t297, t299, t3, t30, t301, t303, t306, t307, t308, t31, t310, t312 + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2085:32: + + 2085 | t223 = 0.1e1_dp/t65/t29 + | ^ +Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:93: + + 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2186:23: + + 2186 | t490 = t28*t57 + | ^ +Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:76: + + 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2082:26: + + 2082 | t216 = t6*t54*t27 + | ^ +Warning: 't27' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:53: + + 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2116:42: + + 2116 | *t110*t273 - t109*t112/t26 + | ^ +Warning: 't26' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:12: + + 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2066:49: + + 2066 | *t4*t145*t19 - t176*t152/0.8e1_dp + | ^ +Warning: 't20' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1941:57: + + 1941 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & + | ^ +note: 't20' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2066:49: + + 2066 | *t4*t145*t19 - t176*t152/0.8e1_dp + | ^ +Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1941:42: + + 1941 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2137:56: + + 2137 | - t139*t269*t297/0.24e2_dp)*sx + | ^ +Warning: 't139' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1940:25: + + 1940 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & + | ^ +note: 't139' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2137:56: + + 2137 | - t139*t269*t297/0.24e2_dp)*sx + | ^ +Warning: 't138' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1940:19: + + 1940 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & + | ^ +note: 't138' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: + + 2135 | /0.3e1_dp + | ^ +Warning: 't135' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1940:13: + + 1940 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & + | ^ +note: 't135' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: + + 2135 | /0.3e1_dp + | ^ +Warning: 't134' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:95: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't134' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2249:70: + + 2249 | t674 = (-t601 - t614 + t627 - t629 - t630 + t633 + t653)*t132 + | ^ +Warning: 't132' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:89: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't132' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2116:42: + + 2116 | *t110*t273 - t109*t112/t26 + | ^ +Warning: 't13' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:83: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2256:25: + + 2256 | /0.3e1_dp + | ^ +Warning: 't129' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:78: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't129' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: + + 2135 | /0.3e1_dp + | ^ +Warning: 't125' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:72: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't125' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2069:25: + + 2069 | t182 = t181*t124 + | ^ +Warning: 't124' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:66: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't124' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: + + 2135 | /0.3e1_dp + | ^ +Warning: 't123' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:60: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2245:69: + + 2245 | t655 = (t601 + t614 - t627 - t629 - t630 + t633 + t653)*t121 + | ^ +Warning: 't121' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:54: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2087:24: + + 2087 | t225 = t224*t12 + | ^ +Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:48: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2104:25: + + 2104 | t262 = t230*t118 + | ^ +Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:37: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2106:27: + + 2106 | t265 = t117*R*t257 + | ^ +Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:31: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2137:56: + + 2137 | - t139*t269*t297/0.24e2_dp)*sx + | ^ +Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:25: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2108:45: + + 2108 | t269 = REAL(t100, KIND=dp)/t115/t114 + | ^ +Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:19: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2108:45: + + 2108 | t269 = REAL(t100, KIND=dp)/t115/t114 + | ^ +Warning: 't114' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:13: + + 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2116:42: + + 2116 | *t110*t273 - t109*t112/t26 + | ^ +Warning: 't112' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:97: + + 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't112' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2242:26: + + 2242 | *t110*t273 + | ^ +Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:85: + + 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2242:26: + + 2242 | *t110*t273 + | ^ +Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:79: + + 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2111:30: + + 2111 | t278 = t102*t103*t108 + | ^ +Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:73: + + 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2112:23: + + 2112 | t283 = t106**2 + | ^ +Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:67: + + 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2113:25: + + 2113 | t285 = t105/t283 + | ^ +Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:61: + + 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2109:35: + + 2109 | t272 = t101*t104*t108*t110 + | ^ +Warning: 't104' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:55: + + 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't104' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2111:30: + + 2111 | t278 = t102*t103*t108 + | ^ +Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:49: + + 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2111:30: + + 2111 | t278 = t102*t103*t108 + | ^ +Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:43: + + 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2109:35: + + 2109 | t272 = t101*t104*t108*t110 + | ^ +Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:37: + + 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1666:33: + + 1666 | t232 = 0.1e1_dp/t100/t99 + | ^ +Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1527:22: + + 1527 | t96, t97, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1722:46: + + 1722 | (-t385 - t341 + t387)*t95*t237 + | ^ +Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1527:17: + + 1527 | t96, t97, t99 + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1802:88: + + 1802 | - t580 + t618)*t95*t237 + | ^ +Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:95: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1802:88: + + 1802 | - t580 + t618)*t95*t237 + | ^ +Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:90: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1722:46: + + 1722 | (-t385 - t341 + t387)*t95*t237 + | ^ +Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:85: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1672:22: + + 1672 | t247 = t91**2 + | ^ +Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:80: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1673:24: + + 1673 | t249 = t90/t247 + | ^ +Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:75: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1623:23: + + 1623 | t134 = t133*t9 + | ^ +Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:70: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1668:23: + + 1668 | t234 = t86*t89 + | ^ +Warning: 't89' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:66: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1671:27: + + 1671 | t242 = t87*t88*t93 + | ^ +Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:61: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1671:27: + + 1671 | t242 = t87*t88*t93 + | ^ +Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:56: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1668:23: + + 1668 | t234 = t86*t89 + | ^ +Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:51: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1679:31: + + 1679 | t267 = t84*t233*R*t264 + | ^ +Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:41: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1789:28: + + 1789 | t580 = t23*t578*t83 + | ^ +Warning: 't83' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:36: + + 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't83' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1684:24: + + 1684 | t280 = t108*t66 + | ^ +Warning: 't66' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1525:53: + + 1525 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: + + 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1525:24: + + 1525 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1641:25: + + 1641 | t177 = t61*gamma + | ^ +Warning: 't61' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1524:50: + + 1524 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^ +note: 't61' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1795:21: + + 1795 | t612 = t3*t6 + | ^ +Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1524:45: + + 1524 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1749:24: + + 1749 | t462 = t59*t189 + | ^ +Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1524:29: + + 1524 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1636:25: + + 1636 | t167 = t51*gamma + | ^ +Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:90: + + 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1646:32: + + 1646 | t189 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't50' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:67: + + 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't50' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1640:22: + + 1640 | t175 = t5*t39 + | ^ +Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:62: + + 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1747:23: + + 1747 | t458 = t49*t61 + | ^ +Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:58: + + 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1645:22: + + 1645 | t186 = t4*t48 + | ^ +Warning: 't48' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:35: + + 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1633:25: + + 1633 | t159 = t42*gamma + | ^ +Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:74: + + 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1745:23: + + 1745 | t454 = t40*t51 + | ^ +Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:51: + + 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ +note: 't40' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1632:22: + + 1632 | t157 = t4*rho + | ^ +Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:46: + + 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1643:26: + + 1643 | t182 = t4*t39*t30 + | ^ +Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:24: + + 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1622:25: + + 1622 | t133 = t33*gamma + | ^ +Warning: 't33' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1518:70: + + 1518 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1646:32: + + 1646 | t189 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1518:53: + + 1518 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1743:23: + + 1743 | t450 = t31*t42 + | ^ +Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1518:18: + + 1518 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1664:25: + + 1664 | t186*t191 + | ^ +Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1517:97: + + 1517 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1630:22: + + 1630 | t153 = t4*t29 + | ^ +Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1517:64: + + 1517 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1682:21: + + 1682 | t272 = R*t23 + | ^ +Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1516:29: + + 1516 | t22, t226, t229, t23, t232, t233, t234, t235, t237, t24, t242, t247, t249, t254, t256, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1625:22: + + 1625 | t138 = t21**2 + | ^ +Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1515:93: + + 1515 | t178, t18, t182, t183, t186, t189, t190, t191, t194, t196, t197, t199, t2, t200, t21, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1620:22: + + 1620 | t128 = t5*t17 + | ^ +Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1514:71: + + 1514 | t146, t153, t154, t157, t159, t16, t160, t163, t167, t168, t17, t171, t172, t175, t177, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1816:66: + + 1816 | *t233*t623/0.24e2_dp)*sx + | ^ +Warning: 't123' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:43: + + 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1697:76: + + 1697 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx + | ^ +Warning: 't121' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:37: + + 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1697:76: + + 1697 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx + | ^ +Warning: 't119' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:31: + + 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1697:76: + + 1697 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx + | ^ +Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:25: + + 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: + + 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:19: + + 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1694:36: + + 1694 | - 0.4e1_dp*t299*t116 + | ^ +Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:96: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: + + 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't111' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:90: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't111' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1785:38: + + 1785 | t566 = t3*t443*t140*t110*t103 + | ^ +Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:84: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1694:36: + + 1694 | - 0.4e1_dp*t299*t116 + | ^ +Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:78: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1694:36: + + 1694 | - 0.4e1_dp*t299*t116 + | ^ +Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:72: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1805:37: + + 1805 | /0.3e1_dp*t626)*t106 + | ^ +Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:66: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1785:38: + + 1785 | t566 = t3*t443*t140*t110*t103 + | ^ +Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:54: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: + + 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:48: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1771:25: + + 1771 | t525 = t143*t101 + | ^ +Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:42: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1666:33: + + 1666 | t232 = 0.1e1_dp/t100/t99 + | ^ +Warning: 't100' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:36: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't100' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1678:86: + + 1678 | t256)*t95*t237 - t94*t97/t29 + | ^ +Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:30: + + 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1328:43: + + 1328 | t231 = REAL(t85, KIND=dp)/t100/t99 + | ^ +Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:51: + + 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1384:50: + + 1384 | t94*(-t317 - t340 + t358)*t95*t235 + | ^ +Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:46: + + 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1466:88: + + 1466 | - t587 + t600)*t95*t235 + | ^ +Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:36: + + 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1466:88: + + 1466 | - t587 + t600)*t95*t235 + | ^ +Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:31: + + 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1384:50: + + 1384 | t94*(-t317 - t340 + t358)*t95*t235 + | ^ +Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:26: + + 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1333:22: + + 1333 | t245 = t91**2 + | ^ +Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:21: + + 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1334:24: + + 1334 | t247 = t90/t245 + | ^ +Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:16: + + 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1283:23: + + 1283 | t135 = t134*t9 + | ^ +Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:11: + + 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1329:23: + + 1329 | t232 = t86*t89 + | ^ +Warning: 't89' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:97: + + 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1332:27: + + 1332 | t240 = t87*t88*t93 + | ^ +Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:92: + + 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1332:27: + + 1332 | t240 = t87*t88*t93 + | ^ +Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:87: + + 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1329:23: + + 1329 | t232 = t86*t89 + | ^ +Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:82: + + 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1339:33: + + 1339 | t263 = t84*t261/0.3e1_dp + | ^ +Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:72: + + 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1455:28: + + 1455 | t587 = t23*t585*t83 + | ^ +Warning: 't83' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:67: + + 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't83' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1322:29: + + 1322 | t221 = t66*t193*t219 + | ^ +Warning: 't66' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:26: + + 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1394:35: + + 1394 | t414 = ndrho*t141*t65*t114 + | ^ +Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1187:70: + + 1187 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1300:25: + + 1300 | t173 = t61*gamma + | ^ +Warning: 't61' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1187:18: + + 1187 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 + | ^ +note: 't61' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1451:35: + + 1451 | t574 = t3*t6*t572/0.9e1_dp + | ^ +Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1186:73: + + 1186 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1414:24: + + 1414 | t471 = t59*t185 + | ^ +Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1186:63: + + 1186 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1295:25: + + 1295 | t163 = t51*gamma + | ^ +Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1185:27: + + 1185 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1305:32: + + 1305 | t185 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't50' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1185:22: + + 1185 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^ +note: 't50' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1359:22: + + 1359 | t312 = t5*t33 + | ^ +Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1185:17: + + 1185 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1412:23: + + 1412 | t467 = t49*t61 + | ^ +Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1184:64: + + 1184 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1304:22: + + 1304 | t182 = t4*t48 + | ^ +Warning: 't48' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1184:53: + + 1184 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1292:25: + + 1292 | t155 = t42*gamma + | ^ +Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1183:18: + + 1183 | t414, t42, t423, t426, t43, t434, t443, t450, t455, t456, t459, t46, t460, t463, t464, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1410:23: + + 1410 | t463 = t40*t51 + | ^ +Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1182:73: + + 1182 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & + | ^ +note: 't40' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1291:22: + + 1291 | t153 = t4*rho + | ^ +Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1182:68: + + 1182 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1302:26: + + 1302 | t178 = t4*t39*t30 + | ^ +Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1182:34: + + 1182 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1282:25: + + 1282 | t134 = t33*gamma + | ^ +Warning: 't33' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1180:70: + + 1180 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1305:32: + + 1305 | t185 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1180:53: + + 1180 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1408:23: + + 1408 | t459 = t31*t42 + | ^ +Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1180:18: + + 1180 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1321:25: + + 1321 | t182*t187 + | ^ +Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1179:91: + + 1179 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1289:22: + + 1289 | t149 = t4*t29 + | ^ +Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1179:76: + + 1179 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1314:28: + + 1314 | t192 = t23*t190*t83 + | ^ +Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1178:30: + + 1178 | t225, t227, t228, t23, t231, t232, t233, t235, t24, t240, t245, t247, t259, t261, t263, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1285:22: + + 1285 | t139 = t21**2 + | ^ +Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1177:63: + + 1177 | t18, t182, t185, t186, t187, t190, t192, t193, t2, t21, t219, t22, t221, t223, t224, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1280:22: + + 1280 | t129 = t5*t17 + | ^ +Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1176:65: + + 1176 | t153, t155, t156, t159, t16, t163, t164, t167, t168, t17, t171, t173, t174, t178, t179, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1358:56: + + 1358 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't124' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:31: + + 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't124' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1358:56: + + 1358 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't123' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:25: + + 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: + + 1356 | /0.3e1_dp + | ^ +Warning: 't120' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:19: + + 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't120' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: + + 1356 | /0.3e1_dp + | ^ +Warning: 't119' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:13: + + 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1473:70: + + 1473 | t655 = (-t574 - t587 + t600 - t605 - t606 + t609 + t632)*t117 + | ^ +Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:96: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1479:54: + + 1479 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't114' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:90: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: + + 1356 | /0.3e1_dp + | ^ +Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:84: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1460:47: + + 1460 | t605 = t3*t450*t141*t109*t103/0.9e1_dp + | ^ +Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:78: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: + + 1356 | /0.3e1_dp + | ^ +Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:72: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1469:69: + + 1469 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 + | ^ +Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:66: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1460:47: + + 1460 | t605 = t3*t450*t141*t109*t103/0.9e1_dp + | ^ +Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:54: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1326:27: + + 1326 | t227 = t102*R*t219 + | ^ +Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:48: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1358:56: + + 1358 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:42: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1328:43: + + 1328 | t231 = REAL(t85, KIND=dp)/t100/t99 + | ^ +Warning: 't100' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:36: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't100' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1337:86: + + 1337 | t221)*t95*t235 - t94*t97/t29 + | ^ +Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:30: + + 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:959:23: + + 959 | t204 = t203*t9 + | ^ +Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: + + 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:941:24: + + 941 | t160 = t85*t103 + | ^ +Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:952:25: + + 952 | t190 = t81*gamma + | ^ +Warning: 't81' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1026:24: + + 1026 | t399 = t79*t202 + | ^ +Warning: 't79' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:947:25: + + 947 | t180 = t71*gamma + | ^ +Warning: 't71' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:957:32: + + 957 | t202 = 0.1e1_dp/t70/t35 + | ^ +Warning: 't70' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1024:23: + + 1024 | t395 = t69*t81 + | ^ +Warning: 't69' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:956:22: + + 956 | t199 = t3*t68 + | ^ +Warning: 't68' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:932:25: + + 932 | t142 = t62*gamma + | ^ +Warning: 't62' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1022:23: + + 1022 | t391 = t60*t71 + | ^ +Warning: 't60' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1043:32: + + 1043 | t42*t43/0.4e1_dp + | ^ +Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1007:58: + + 1007 | *t313 - 0.80e2_dp/0.729e3_dp*t99*t195*t317 + | ^ +Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1015:22: + + 1015 | t376 = t5*t36 + | ^ +Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:976:22: + + 976 | t245 = t49**2 + | ^ +Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:939:28: + + 939 | t158 = 0.1e1_dp/t47 + | ^ +Warning: 't47' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1018:31: + + 1018 | - t42*t43*gamma + | ^ +Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:934:23: + + 934 | t154 = t42*t23 + | ^ +Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:929:28: + + 929 | t134 = 0.1e1_dp/t41 + | ^ +Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:994:51: + + 994 | ndrho/0.9e1_dp + t154*t285/0.4e1_dp + | ^ +Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:944:25: + + 944 | t167 = t36*gamma + | ^ +Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:957:32: + + 957 | t202 = 0.1e1_dp/t70/t35 + | ^ +Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1020:23: + + 1020 | t387 = t34*t62 + | ^ +Warning: 't34' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:928:40: + + 928 | t131 = 0.1e1_dp/t4/t33*gamma*t9 + | ^ +Warning: 't33' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:930:22: + + 930 | t137 = t3*t32 + | ^ +Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: + + 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:938:53: + + 938 | t42*t23*t124*t16 - t154*t131/0.8e1_dp + | ^ +Warning: 't26' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1043:32: + + 1043 | t42*t43/0.4e1_dp + | ^ +Warning: 't25' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:977:29: + + 977 | t248 = t21*t106/t245 + | ^ +Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:974:21: + + 974 | *t204 + | ^ +Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:942:22: + + 942 | t162 = t4*t17 + | ^ +Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:938:53: + + 938 | t42*t23*t124*t16 - t154*t131/0.8e1_dp + | ^ +Warning: 't16' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: + + 1058 | /0.2e1_dp))*sx + | ^ +Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: Warning: 't112' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: Warning: 't111' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: + + 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:978:25: + + 978 | t249 = t109*t102 + | ^ +Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:979:29: + + 979 | t255 = t21*t106*t108 + | ^ +Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: + + 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't107' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: + + 1058 | /0.2e1_dp))*sx + | ^ +Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1052:53: + + 1052 | t487 = t459*t160 + t472*t103 - t86*t211*t484 + | ^ +Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: + + 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: + + 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: Warning: 't96' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: + + 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: + + 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:719:27: + + 719 | t217 = t21*t91*t93 + | ^ +Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: + + 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't92' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: + + 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:699:23: + + 699 | t166 = t165*t9 + | ^ +Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:792:24: + + 792 | t436 = t435*t88 + | ^ +Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: + + 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: Warning: 't71' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:731:24: + + 731 | t249 = t120*t70 + | ^ +Warning: 't70' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:692:25: + + 692 | t152 = t66*gamma + | ^ +Warning: 't66' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:768:24: + + 768 | t361 = t64*t164 + | ^ +Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:687:25: + + 687 | t142 = t56*gamma + | ^ +Warning: 't56' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:697:32: + + 697 | t164 = 0.1e1_dp/t55/t37 + | ^ +Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:766:23: + + 766 | t357 = t54*t66 + | ^ +Warning: 't54' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:696:22: + + 696 | t161 = t3*t53 + | ^ +Warning: 't53' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:757:22: + + 757 | t340 = t5*t38 + | ^ +Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:684:25: + + 684 | t134 = t47*gamma + | ^ +Warning: 't47' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:764:23: + + 764 | t353 = t45*t56 + | ^ +Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:745:58: + + 745 | *t267 - 0.80e2_dp/0.729e3_dp*t84*t157*t271 + | ^ +Warning: 't44' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:730:22: + + 730 | t246 = t4*t38 + | ^ +Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: + + 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:697:32: + + 697 | t164 = 0.1e1_dp/t55/t37 + | ^ +Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:762:23: + + 762 | t349 = t36*t47 + | ^ +Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:694:26: + + 694 | t157 = t3*t44*t35 + | ^ +Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:756:46: + + 756 | /0.2e1_dp))*sx + | ^ +Warning: 't34' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: + + 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:716:22: + + 716 | t207 = t28**2 + | ^ +Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:678:22: + + 678 | t118 = t26**2 + | ^ +Warning: 't26' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: + + 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:714:21: + + 714 | *t166 + | ^ +Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:673:22: + + 673 | t108 = t4*t17 + | ^ +Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: + + 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: Warning: 't100' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbecke_roussel.mod' due to: xc_xbecke_roussel.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xlda_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xlda_hole_t_c_lr.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: + + 291 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't68' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't67' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't25' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't15' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't14' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xlda_hole_t_c_lr.mod' due to: xc_xlda_hole_t_c_lr.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbr_pbe_lda_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod xc_xpbe_hole_t_c_lr.mod xc_xbecke_roussel.mod xc_xlda_hole_t_c_lr.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbr_pbe_lda_hole_t_c_lr.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbr_pbe_lda_hole_t_c_lr.mod' due to: xc_xbr_pbe_lda_hole_t_c_lr.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod xc_xpbe_hole_t_c_lr.mod xc_xbecke_roussel.mod xc_xlda_hole_t_c_lr.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbeef.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F xc_xbeef.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbeef.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:490:89: + + 490 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'dt' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:489:109: + + 489 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'ds_rho' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:490:89: + + 490 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'ds_ndrho' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:288:79: + + 288 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'dt' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:287:99: + + 287 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'ds_rho' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:288:79: + + 288 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'ds_ndrho' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbeef.mod' due to: xc_xbeef.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbecke88_lr_adiabatic.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:17:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbecke88_lr_adiabatic.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: + + 4613 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't997' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:30: + + 3175 | t99, t991, t995, t997, xx + | ^ +note: 't997' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5160:54: + + 5160 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 + | ^ +Warning: 't995' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:24: + + 3175 | t99, t991, t995, t997, xx + | ^ +note: 't995' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: + + 4613 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't991' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:18: + + 3175 | t99, t991, t995, t997, xx + | ^ +note: 't991' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5031:34: + + 5031 | *t105*t5118 + | ^ +Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:12: + + 3175 | t99, t991, t995, t997, xx + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: + + 4613 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't987' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:95: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't987' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: + + 4603 | *t3339 + | ^ +Warning: 't984' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:89: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't984' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + + 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't980' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:77: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't980' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5190:50: + + 5190 | t5564 = 0.1173333333e3_dp*t5060*t98 + | ^ +Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:71: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + + 4637 | *t339*t969 + | ^ +Warning: 't976' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:60: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't976' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: + + 4629 | *t321*t953*t1625 + | ^ +Warning: 't974' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:48: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't974' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + + 4637 | *t339*t969 + | ^ +Warning: 't973' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:42: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't973' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3510:30: + + 3510 | t627 = t97*t132 + | ^ +Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:30: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + + 4637 | *t339*t969 + | ^ +Warning: 't969' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:25: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't969' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + + 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't966' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:19: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't966' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: + + 4603 | *t3339 + | ^ +Warning: 't963' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:13: + + 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't963' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + + 4637 | *t339*t969 + | ^ +Warning: 't962' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:92: + + 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't962' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: + + 4603 | *t3339 + | ^ +Warning: 't959' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:86: + + 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't959' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + + 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't955' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:74: + + 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't955' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5201:56: + + 5201 | t5593 = 0.1066666667e2_dp*t321*t953*t5087 + | ^ +Warning: 't953' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:62: + + 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't953' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + + 4637 | *t339*t969 + | ^ +Warning: 't950' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:56: + + 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't950' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3383:38: + + 3383 | t341 = 0.1e1_dp/t19/t95 + | ^ +Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:50: + + 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5207:56: + + 5207 | t5607 = 0.5866666667e2_dp*t307*t949*t5069 + | ^ +Warning: 't949' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:45: + + 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't949' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + + 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't946' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:39: + + 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't946' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: + + 4629 | *t321*t953*t1625 + | ^ +Warning: 't941' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:76: + + 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't941' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4615:31: + + 4615 | t3682 = t24*t940 + | ^ +Warning: 't940' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:70: + + 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't940' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4238:70: + + 4238 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 + | ^ +Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:64: + + 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: + + 4637 | *t339*t969 + | ^ +Warning: 't930' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:59: + + 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't930' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5189:50: + + 5189 | t5562 = 0.5866666667e2_dp*t93*t4820 + | ^ +Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:53: + + 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + + 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't929' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:48: + + 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't929' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4665:39: + + 4665 | *t165*t3865*t237 + | ^ +Warning: 't922' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:30: + + 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't922' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3362:29: + + 3362 | t298 = t92*t97 + | ^ +Warning: 't92' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:24: + + 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't92' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4851:39: + + 4851 | *t289*t294*t1553 + | ^ +Warning: 't918' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:19: + + 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't918' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4859:42: + + 4859 | *t83*t45*t3581*t140 + | ^ +Warning: 't914' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:13: + + 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't914' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4798:66: + + 4798 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't907' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:94: + + 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't907' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4651:71: + + 4651 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 + | ^ +Warning: 't906' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:88: + + 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't906' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3961:39: + + 3961 | t1640 = 0.1e1_dp/t787/t9 + | ^ +Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:76: + + 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5442:57: + + 5442 | t6216 = 0.8333333340e-1_dp*t429*t897*t4701 + | ^ +Warning: 't897' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:72: + + 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't897' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: + + 4870 | t3869 + t4657 + t4696) + | ^ +Warning: 't893' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:60: + + 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't893' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4719:70: + + 4719 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't886' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:48: + + 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't886' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4719:70: + + 4719 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't882' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:42: + + 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't882' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3521:49: + + 3521 | *t615 - 0.20e1_dp*t102*t646 + | ^ +Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:30: + + 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4782:66: + + 4782 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't878' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:25: + + 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't878' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: + + 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't874' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:13: + + 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't874' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3517:73: + + 3517 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:93: + + 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4726:37: + + 4726 | *t58*t3796*t71 + | ^ +Warning: 't866' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:82: + + 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't866' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4755:41: + + 4755 | t192*t68*t4256*t65 + | ^ +Warning: 't865' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:76: + + 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't865' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4712:66: + + 4712 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + | ^ +Warning: 't864' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:70: + + 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't864' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: + + 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't863' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:64: + + 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't863' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4497:80: + + 4497 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:52: + + 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4747:29: + + 4747 | *t3382 + | ^ +Warning: 't859' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:47: + + 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't859' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4559:56: + + 4559 | t3497 = 0.2400000000e2_dp*t473*t852*t1483 + | ^ +Warning: 't852' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:29: + + 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't852' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4238:70: + + 4238 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 + | ^ +Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:17: + + 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3485:108: + + 3485 | t46*t541))*sx + | ^ +Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:12: + + 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4833:71: + + 4833 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't833' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:94: + + 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't833' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5426:37: + + 5426 | t6175 = t83*t597*t1688 + | ^ +Warning: 't83' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:88: + + 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't83' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4555:38: + + 4555 | t165*t171*t3449 + | ^ +Warning: 't827' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:83: + + 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't827' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4682:40: + + 4682 | *t400*t1333*t1410 + | ^ +Warning: 't822' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:71: + + 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't822' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4555:38: + + 4555 | t165*t171*t3449 + | ^ +Warning: 't815' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:65: + + 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't815' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: + + 4870 | t3869 + t4657 + t4696) + | ^ +Warning: 't804' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:59: + + 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't804' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + + 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't801' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:53: + + 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't801' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + + 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't800' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:47: + + 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't800' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3558:118: + + 3558 | *t83*t653 - 0.2222222224e0_dp*t144*t46*t739))*sx + | ^ +Warning: 't8' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:41: + + 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4536:32: + + 4536 | t12*t1058 + | ^ +Warning: 't797' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:37: + + 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't797' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3485:108: + + 3485 | t46*t541))*sx + | ^ +Warning: 't79' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:95: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't79' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4879:42: + + 4879 | t4721 = 0.1e1_dp/t787*t2480 + | ^ +Warning: 't787' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:90: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't787' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4927:59: + + 4927 | - 0.2400000000e2_dp*t786/t2492*t1058 + | ^ +Warning: 't786' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:84: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't786' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4536:32: + + 4536 | t12*t1058 + | ^ +Warning: 't782' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:72: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't782' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4516:85: + + 4516 | + t3288) + | ^ +Warning: 't78' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:66: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't78' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4670:32: + + 4670 | t3925 = t777*t561 + | ^ +Warning: 't777' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:61: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't777' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: + + 4603 | *t3339 + | ^ +Warning: 't773' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:49: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't773' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: + + 4629 | *t321*t953*t1625 + | ^ +Warning: 't772' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:43: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't772' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: + + 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't769' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:37: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't769' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4542:57: + + 4542 | *t102*t3363 - 0.20e1_dp*t102*t3379 + | ^ +Warning: 't766' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:31: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't766' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: + + 4613 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't764' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:19: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't764' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: + + 4870 | t3869 + t4657 + t4696) + | ^ +Warning: 't754' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:13: + + 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't754' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: + + 4870 | t3869 + t4657 + t4696) + | ^ +Warning: 't753' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:95: + + 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't753' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4884:55: + + 4884 | t4732 = 0.6666666672e0_dp*t747*t84*t4729 + | ^ +Warning: 't747' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:89: + + 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't747' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3433:29: + + 3433 | t446 = t74*rho + | ^ +Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:83: + + 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3991:31: + + 3991 | t1694 = t45*t739 + | ^ +Warning: 't739' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:78: + + 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't739' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4791:39: + + 4791 | *t429*t1928*t290 + | ^ +Warning: 't735' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:72: + + 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't735' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5379:33: + + 5379 | t6053 = t732*t6052 + | ^ +Warning: 't732' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:66: + + 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't732' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5344:51: + + 5344 | t5977 = 0.1111111112e0_dp*t1755*t729 + | ^ +Warning: 't729' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:60: + + 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't729' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4712:66: + + 4712 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + | ^ +Warning: 't728' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:54: + + 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't728' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5386:33: 5386 | t6075 = t723*t6052 | ^ @@ -19087,11 +22212,256 @@ 272 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & | ^ note: 't10' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbecke88_lr_adiabatic.mod' due to: xc_xbecke88_lr_adiabatic.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod cp_array_utils.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbecke88_lr_adiabatic.mod' due to: xc_xbecke88_lr_adiabatic.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_functionals_utilities.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_functionals_utilities.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_functionals_utilities.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_functionals_utilities.F:68:31: + + 68 | SUBROUTINE setup_calculation(order, m, calc, tag) + | ^ +Warning: 'setup_calculation' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_functionals_utilities.mod' due to: xc_functionals_utilities.o /build/reproducible-path/cp2k-8.1/src/xc/xc_functionals_utilities.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_perdew_zunger.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod xc_input_constants.mod base_hooks.mod bibliography.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F xc_perdew_zunger.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_perdew_zunger.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:714:74: + + 714 | + trz*r(1)*z(0, 2) + tzz*z(0, 2)*z(1, 0) + tz*z(1, 2) + | ^ +Warning: 'tzz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:617:63: + + 617 | tzz, tzzz + | ^ +note: 'tzz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:682:56: + + 682 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) + | ^ +Warning: 'trz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:89: + + 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:682:56: + + 682 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) + | ^ +Warning: 'trr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:72: + + 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trr' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:675:41: + + 675 | ed(m + 1) = tr*r(1) + tz*z(0, 1) + | ^ +Warning: 'tz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:99: + + 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'tz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:673:37: + + 673 | ed(m) = tr*r(1) + tz*z(1, 0) + | ^ +Warning: 'tr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:67: + + 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'tr' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:720:62: + + 720 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) + | ^ +Warning: 'tzzz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:617:69: + + 617 | tzz, tzzz + | ^ +note: 'tzzz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:706:74: + + 706 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) + | ^ +Warning: 'trzz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:95: + + 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trzz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:698:58: + + 698 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) + | ^ +Warning: 'trrz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:84: + + 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trrz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:698:58: + + 698 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) + | ^ +Warning: 'trrr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:78: + + 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trrr' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_perdew_zunger.mod' due to: xc_perdew_zunger.o /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod xc_input_constants.mod base_hooks.mod bibliography.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_optx.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_optx.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_optx.F xc_optx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_optx.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_optx.mod' due to: xc_optx.o /build/reproducible-path/cp2k-8.1/src/xc/xc_optx.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod cp_array_utils.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbecke88.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88.F xc_xbecke88.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbecke88.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbecke88.mod' due to: xc_xbecke88.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_tpss.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_tpss.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_tpss.F xc_tpss.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_tpss.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_tpss.mod' due to: xc_tpss.o /build/reproducible-path/cp2k-8.1/src/xc/xc_tpss.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_tfw.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_tfw.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_tfw.F xc_tfw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_tfw.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_tfw.mod' due to: xc_tfw.o /build/reproducible-path/cp2k-8.1/src/xc/xc_tfw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_exchange_gga.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_exchange_gga.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod cp_log_handling.mod xc_input_constants.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_exchange_gga.F xc_exchange_gga.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_exchange_gga.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_exchange_gga.mod' due to: xc_exchange_gga.o /build/reproducible-path/cp2k-8.1/src/xc/xc_exchange_gga.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod cp_log_handling.mod xc_input_constants.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_b97.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_b97.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod xc_input_constants.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_b97.F xc_b97.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_b97.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_b97.mod' due to: xc_b97.o /build/reproducible-path/cp2k-8.1/src/xc/xc_b97.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod xc_input_constants.mod base_hooks.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_perdew86.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew86.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod xc_input_constants.mod base_hooks.mod xc_perdew_zunger.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew86.F xc_perdew86.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_perdew86.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_perdew86.mod' due to: xc_perdew86.o /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew86.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod xc_input_constants.mod base_hooks.mod xc_perdew_zunger.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_perdew_wang.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.fypp xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod xc_input_constants.mod base_hooks.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F xc_perdew_wang.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_perdew_wang.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:632:65: + + 632 | + trz*r(1)*z(0, 2) + tzz*z(0, 2)*z(1, 0) + tz*z(1, 2) + | ^ +Warning: 'tzz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:496:63: + + 496 | tzz, tzzz + | ^ +note: 'tzz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:603:56: + + 603 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) + | ^ +Warning: 'trz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:89: + + 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:603:56: + + 603 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) + | ^ +Warning: 'trr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:72: + + 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trr' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:598:41: + + 598 | ed(m + 1) = tr*r(1) + tz*z(0, 1) + | ^ +Warning: 'tz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:99: + + 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'tz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:597:37: + + 597 | ed(m) = tr*r(1) + tz*z(1, 0) + | ^ +Warning: 'tr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:67: + + 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'tr' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:638:53: + + 638 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) + | ^ +Warning: 'tzzz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:496:69: + + 496 | tzz, tzzz + | ^ +note: 'tzzz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:624:65: + + 624 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) + | ^ +Warning: 'trzz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:95: + + 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trzz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:616:53: + + 616 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) + | ^ +Warning: 'trrz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:84: + + 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trrz' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:616:53: + + 616 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) + | ^ +Warning: 'trrr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F:495:78: + + 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trrr' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_perdew_wang.mod' due to: xc_perdew_wang.o /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.fypp xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod xc_input_constants.mod base_hooks.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_libxc_wrap.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc_wrap.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc_wrap.F xc_libxc_wrap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_libxc_wrap.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_libxc_wrap.mod' due to: xc_libxc_wrap.o /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc_wrap.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xwpbe.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xwpbe.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_set_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod kinds.mod bibliography.mod base_hooks.mod mathconstants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_libxc.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod xc_libxc_wrap.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc.F xc_libxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_libxc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_libxc.mod' due to: xc_libxc.o /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod xc_libxc_wrap.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xwpbe.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xwpbe.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod bibliography.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xwpbe.F xc_xwpbe.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_xwpbe.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:18:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xwpbe.F90 /build/reproducible-path/cp2k-8.1/src/xc/xc_xwpbe.F:5635:90: 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho @@ -26842,14436 +30212,10978 @@ 1803 | t419 = t1*ndrho | ^ Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xwpbe.mod' due to: xc_xwpbe.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xwpbe.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_set_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod kinds.mod bibliography.mod base_hooks.mod mathconstants.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_lyp.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp.F xc_lyp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_lyp.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_lyp.mod' due to: xc_lyp.o /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_exchange_gga.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_exchange_gga.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod cp_log_handling.mod xc_input_constants.mod base_hooks.mod mathconstants.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_exchange_gga.F xc_exchange_gga.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_exchange_gga.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_exchange_gga.mod' due to: xc_exchange_gga.o /build/reproducible-path/cp2k-8.1/src/xc/xc_exchange_gga.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod cp_log_handling.mod xc_input_constants.mod base_hooks.mod mathconstants.mod xc_functionals_utilities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_ke_gga.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_ke_gga.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod xc_input_constants.mod base_hooks.mod mathconstants.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_ke_gga.F xc_ke_gga.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_ke_gga.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_ke_gga.mod' due to: xc_ke_gga.o /build/reproducible-path/cp2k-8.1/src/xc/xc_ke_gga.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod xc_input_constants.mod base_hooks.mod mathconstants.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xwpbe.mod' due to: xc_xwpbe.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xwpbe.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbecke_roussel.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_xbecke_roussel.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2472:31: - - 2472 | t305 = t99*t271*R*t302 - | ^ -Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2304:36: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_pbe.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod xc_input_constants.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F xc_pbe.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_pbe.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1923:38: - 2304 | t9, t91, t94, t97, t98, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2578:28: + 1923 | t477 = 0.1e1_dp/t475*mu + | ^ +Warning: 'mu' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1524:25: - 2578 | t614 = t43*t612*t98 - | ^ -Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2304:31: + 1524 | kf_brhobrhob, mu + | ^ +note: 'mu' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1735:51: - 2304 | t9, t91, t94, t97, t98, t99 - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2572:34: + 1735 | Fx_b = 0.1e1_dp + kappa - kappa/t153 + | ^ +Warning: 'kappa' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1523:42: - 2572 | + t36*t37/0.4e1_dp - | ^ -Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2304:11: + 1523 | k_s1rhob, k_srhoa, k_srhob, kappa, kf_a, kf_arhoa, kf_arhoarhoa, kf_b, kf_brhob, & + | ^ +note: 'kappa' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1692:31: - 2304 | t9, t91, t94, t97, t98, t99 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2477:24: + 1692 | t101 = beta*t100 + | ^ +Warning: 'beta' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1512:24: - 2477 | t318 = t123*t81 + 1512 | Arhobrhob, beta, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, & | ^ -Warning: 't81' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:81: - - 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't81' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2479:28: - - 2479 | t330 = t179*t80*t98 - | ^ -Warning: 't80' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:76: - - 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2572:34: - - 2572 | + t36*t37/0.4e1_dp - | ^ -Warning: 't8' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:71: - - 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2435:25: - - 2435 | t215 = t76*gamma - | ^ -Warning: 't76' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:62: +note: 'beta' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1108:55: - 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2542:24: + 1108 | t1385 = 0.1e1_dp/t1380*t469*mu*t101*s + | ^ +Warning: 'mu' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:431:24: - 2542 | t504 = t74*t227 + 431 | kfrhorhorho, mu, my_norm_drho, my_rho, p_1, p_2, rs, rs2rho, rsrho, rsrhorho, & | ^ -Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:57: +note: 'mu' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1109:34: - 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2434:22: + 1109 | t1386 = kappa**2 + | ^ +Warning: 'kappa' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:430:66: - 2434 | t213 = t7*t54 - | ^ -Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:37: + 430 | k_s1rhorho, k_s2rho, k_srho, k_srho1rho, k_srhorho, kappa, kf, kf2rho, kfrho, kfrhorho, & + | ^ +note: 'kappa' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:956:34: - 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2430:25: + 956 | t879 = beta/t877 + | ^ +Warning: 'beta' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:423:25: - 2430 | t205 = t66*gamma + 423 | Arhorhorho, beta, beta_1_1, beta_2_1, beta_3_1, beta_4_1, e_c_u_0, e_c_u_01rho, & | ^ -Warning: 't66' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2302:58: - - 2302 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2440:32: +note: 'beta' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_pbe.mod' due to: xc_pbe.o /build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod xc_input_constants.mod base_hooks.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_thomas_fermi.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_thomas_fermi.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_thomas_fermi.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_thomas_fermi.mod' due to: xc_thomas_fermi.o /build/reproducible-path/cp2k-8.1/src/xc/xc_thomas_fermi.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_vwn.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod xc_input_constants.mod base_hooks.mod bibliography.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F xc_vwn.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_vwn.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1476:30: - 2440 | t227 = 0.1e1_dp/t65/t29 - | ^ -Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2302:35: + 1476 | t288 = t287*t97 + | ^ +Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1272:35: - 2302 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 + 1272 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2540:23: - - 2540 | t500 = t64*t76 - | ^ -Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2302:18: +note: 't97' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1484:72: - 2302 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2439:22: + 1484 | t109*(t295*t96 + 0.3177280975e0_dp*t298*t284)*t122 + | ^ +Warning: 't96' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1272:30: - 2439 | t224 = t6*t63 - | ^ -Warning: 't63' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2301:96: + 1272 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p + | ^ +note: 't96' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1508:56: - 2301 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & - | ^ -note: 't63' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2412:22: + 1508 | t55 + t93 + t127)*sc + | ^ +Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1271:85: - 2412 | t161 = t6*rho - | ^ -Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2301:51: + 1271 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1424:30: - 2301 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2413:25: + 1424 | t206 = t144*t92 + | ^ +Warning: 't92' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1271:80: - 2413 | t163 = t57*gamma - | ^ -Warning: 't57' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2301:12: + 1271 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & + | ^ +note: 't92' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1765:30: - 2301 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & - | ^ -note: 't57' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2538:23: + 1765 | t752 = t90*t751 + | ^ +Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1271:40: - 2538 | t496 = t55*t66 - | ^ -Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2300:81: + 1271 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1769:29: - 2300 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2437:26: + 1769 | t757 = t89*t91 + | ^ +Warning: 't89' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1270:92: - 2437 | t220 = t6*t54*t27 - | ^ -Warning: 't54' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2300:58: + 1270 | REAL(KIND=dp) :: t865, t866, t869, t870, t873, t874, t875, t878, t881, t884, t887, t89, & + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1666:64: - 2300 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2425:22: + 1666 | *t583*t548)*t86)*t91 + | ^ +Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1269:59: - 2425 | t187 = t7*t45 - | ^ -Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2298:69: + 1269 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2165:60: - 2298 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2475:21: + 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't834' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1269:19: - 2475 | t310 = R*t43 - | ^ -Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2298:35: + 1269 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + | ^ +note: 't834' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2298 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2420:28: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't833' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1269:13: - 2420 | t179 = 0.1e1_dp/t41 - | ^ -Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2297:87: + 1269 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + | ^ +note: 't833' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2243:80: - 2297 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2533:31: + 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't832' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:97: - 2533 | - t36*t37*gamma - | ^ -Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2297:30: + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't832' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - 2297 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2533:31: + 2099 | + t842 - t1609 + | ^ +Warning: 't831' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:91: - 2533 | - t36*t37*gamma - | ^ -Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2296:97: + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't831' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2165:60: - 2296 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2409:28: + 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't830' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:85: - 2409 | t154 = 0.1e1_dp/t35 - | ^ -Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2296:74: + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't830' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2296 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2427:25: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't829' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:79: - 2427 | t192 = t30*gamma - | ^ -Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2295:39: + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't829' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2243:80: - 2295 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2440:32: + 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't828' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:73: - 2440 | t227 = 0.1e1_dp/t65/t29 - | ^ -Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2295:18: + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't828' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - 2295 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2536:23: + 2099 | + t842 - t1609 + | ^ +Warning: 't827' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:67: - 2536 | t492 = t28*t57 - | ^ -Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2294:80: + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't827' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2165:60: - 2294 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2437:26: + 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't826' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:61: - 2437 | t220 = t6*t54*t27 - | ^ -Warning: 't27' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2294:51: + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't826' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2294 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2471:42: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't825' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:55: - 2471 | *t110*t275 - t109*t112/t26 - | ^ -Warning: 't26' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2294:34: + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't825' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2294 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2419:49: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't824' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:49: - 2419 | *t4*t144*t19 - t175*t151/0.8e1_dp + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -Warning: 't20' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2292:75: - - 2292 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & - | ^ -note: 't20' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2419:49: +note: 't824' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - 2419 | *t4*t144*t19 - t175*t151/0.8e1_dp - | ^ -Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2292:48: + 2099 | + t842 - t1609 + | ^ +Warning: 't823' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:43: - 2292 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2601:66: + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't823' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: - 2601 | *t271*t650/0.24e2_dp)*sx - | ^ -Warning: 't138' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:37: + 2215 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't822' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:37: - 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't138' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2490:76: +note: 't822' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2490 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx - | ^ -Warning: 't136' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:31: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't821' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:31: - 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2490:76: +note: 't821' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: - 2490 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx - | ^ -Warning: 't134' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:25: + 2215 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't820' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:25: - 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't134' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2490:76: +note: 't820' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2490 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx - | ^ -Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:19: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't819' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:19: - 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2599:36: +note: 't819' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - 2599 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't131' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:13: + 2099 | + t842 - t1609 + | ^ +Warning: 't818' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:13: - 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't131' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2471:42: - - 2471 | *t110*t275 - t109*t112/t26 - | ^ -Warning: 't13' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:89: +note: 't818' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: + 2215 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't817' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:94: - 2487 | - 0.4e1_dp*t337*t131 - | ^ -Warning: 't128' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:84: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't817' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't128' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2599:36: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't816' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:88: - 2599 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't126' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:78: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't816' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2467:25: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't815' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:82: - 2467 | t292 = t180*t125 - | ^ -Warning: 't125' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:72: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't815' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2175:32: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: + 2175 | t1832 = t814*t254 + | ^ +Warning: 't814' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:76: - 2487 | - 0.4e1_dp*t337*t131 - | ^ -Warning: 't124' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:66: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't814' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't124' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: + 2099 | + t842 - t1609 + | ^ +Warning: 't813' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:70: - 2487 | - 0.4e1_dp*t337*t131 - | ^ -Warning: 't123' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:60: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't813' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2591:28: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't812' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:64: - 2591 | *t653)*t121 - | ^ -Warning: 't121' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:54: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't812' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2177:32: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2442:24: + 2177 | t1838 = t811*t202 + | ^ +Warning: 't811' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:58: - 2442 | t229 = t228*t12 - | ^ -Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:48: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't811' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2193:32: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2450:25: + 2193 | t1891 = t808*t254 + | ^ +Warning: 't808' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:52: - 2450 | t235 = t234*t118 - | ^ -Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:37: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't808' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2181:32: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2599:36: + 2181 | t1850 = t806*t254 + | ^ +Warning: 't806' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:46: - 2599 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:31: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't806' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2189:32: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: + 2189 | t1870 = t804*t254 + | ^ +Warning: 't804' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:40: - 2487 | - 0.4e1_dp*t337*t131 - | ^ -Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:25: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't804' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2194:32: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2460:34: + 2194 | t1893 = t803*t305 + | ^ +Warning: 't803' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:34: - 2460 | t270 = 0.1e1_dp/t115/t114 + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:19: - - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2460:34: +note: 't803' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2183:32: - 2460 | t270 = 0.1e1_dp/t115/t114 - | ^ -Warning: 't114' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:13: + 2183 | t1858 = t802*t142 + | ^ +Warning: 't802' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:28: - 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2471:42: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't802' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1448:30: - 2471 | *t110*t275 - t109*t112/t26 - | ^ -Warning: 't112' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:97: - - 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2588:26: - - 2588 | *t110*t275 - | ^ -Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:85: - - 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2588:26: - - 2588 | *t110*t275 - | ^ -Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:79: - - 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2464:30: - - 2464 | t280 = t102*t103*t108 - | ^ -Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:73: - - 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2465:23: - - 2465 | t285 = t106**2 - | ^ -Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:67: - - 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2466:25: - - 2466 | t287 = t105/t285 - | ^ -Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:61: - - 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2462:35: - - 2462 | t274 = t101*t104*t108*t110 - | ^ -Warning: 't104' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:55: - - 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2464:30: - - 2464 | t280 = t102*t103*t108 - | ^ -Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:49: - - 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2464:30: - - 2464 | t280 = t102*t103*t108 + 1448 | t245 = t80*t225 | ^ -Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:43: - - 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2462:35: - - 2462 | t274 = t101*t104*t108*t110 - | ^ -Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:37: - - 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2118:33: - - 2118 | t301 = t99*t299/0.3e1_dp - | ^ -Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:95: - - 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2231:28: - - 2231 | t614 = t43*t612*t98 - | ^ -Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:90: - - 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2225:34: - - 2225 | + t36*t37/0.4e1_dp - | ^ -Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:70: - - 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2102:29: - - 2102 | t259 = t81*t231*t257 - | ^ -Warning: 't81' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:51: - - 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't81' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2124:24: - - 2124 | t312 = t80*t231 - | ^ Warning: 't80' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:46: +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:22: - 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ note: 't80' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2225:34: +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1924:47: - 2225 | + t36*t37/0.4e1_dp - | ^ + 1924 | t1099 = t8**(-0.1666666667e1_dp) + | ^ Warning: 't8' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:41: +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:17: - 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ note: 't8' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2080:25: - - 2080 | t211 = t76*gamma - | ^ -Warning: 't76' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:32: - - 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2192:24: - - 2192 | t502 = t74*t223 - | ^ -Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:27: - - 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2079:22: - - 2079 | t209 = t7*t54 - | ^ -Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1952:94: - - 1952 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2075:25: - - 2075 | t201 = t66*gamma - | ^ -Warning: 't66' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1952:55: - - 1952 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2085:32: - - 2085 | t223 = 0.1e1_dp/t65/t29 - | ^ -Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1952:26: - - 1952 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2190:23: - - 2190 | t498 = t64*t76 - | ^ -Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1951:70: +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2225:34: - 1951 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2084:22: + 2225 | *t136*t1986 + | ^ +Warning: 't799' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:13: - 2084 | t220 = t6*t63 - | ^ -Warning: 't63' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1951:47: + 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't799' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2225:34: - 1951 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 - | ^ -note: 't63' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2059:22: + 2225 | *t136*t1986 + | ^ +Warning: 't796' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:97: - 2059 | t162 = t6*rho - | ^ -Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1950:80: + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't796' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2243:80: - 1950 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & + 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2060:25: - - 2060 | t164 = t57*gamma - | ^ -Warning: 't57' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1950:53: - - 1950 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & - | ^ -note: 't57' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2188:23: - - 2188 | t494 = t55*t66 - | ^ -Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1950:24: - - 1950 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2082:26: - - 2082 | t216 = t6*t54*t27 - | ^ -Warning: 't54' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1949:82: - - 1949 | t502, t503, t506, t508, t519, t52, t521, t523, t524, t526, t527, t53, t54, t543, t545, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2070:22: - - 2070 | t183 = t7*t45 - | ^ -Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1947:81: - - 1947 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2094:28: - - 2094 | t230 = t43*t228*t98 - | ^ -Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1947:35: - - 1947 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2067:28: - - 2067 | t180 = 0.1e1_dp/t41 - | ^ -Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1946:93: - - 1946 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2183:31: - - 2183 | - t36*t37*gamma - | ^ -Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1946:24: +Warning: 't793' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:91: - 1946 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2183:31: + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't793' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2219:33: - 2183 | - t36*t37*gamma - | ^ -Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1945:85: + 2219 | t1975 = t1697*t789 + | ^ +Warning: 't789' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:85: - 1945 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2056:28: - - 2056 | t155 = 0.1e1_dp/t35 - | ^ -Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1945:62: - - 1945 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2072:25: +note: 't789' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2072 | t188 = t30*gamma - | ^ -Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1944:28: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't784' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:73: - 1944 | t297, t299, t3, t30, t301, t303, t306, t307, t308, t31, t310, t312 - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2085:32: + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't784' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2176:32: - 2085 | t223 = 0.1e1_dp/t65/t29 + 2176 | t1836 = t732*t783 | ^ -Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:93: - - 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2186:23: - - 2186 | t490 = t28*t57 - | ^ -Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:76: - - 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2082:26: +Warning: 't783' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:67: - 2082 | t216 = t6*t54*t27 - | ^ -Warning: 't27' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:53: + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't783' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2116:42: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't782' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:61: - 2116 | *t110*t273 - t109*t112/t26 - | ^ -Warning: 't26' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:12: + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't782' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2154:38: - 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2066:49: + 2154 | t1783 = 0.160e2_dp*t780 + | ^ +Warning: 't780' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:55: - 2066 | *t4*t145*t19 - t176*t152/0.8e1_dp - | ^ -Warning: 't20' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1941:57: + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't780' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2212:29: - 1941 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & - | ^ -note: 't20' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2066:49: + 2212 | *t1776 + | ^ +Warning: 't779' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:49: - 2066 | *t4*t145*t19 - t176*t152/0.8e1_dp + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ -Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1941:42: - - 1941 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2137:56: - - 2137 | - t139*t269*t297/0.24e2_dp)*sx - | ^ -Warning: 't139' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1940:25: - - 1940 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & - | ^ -note: 't139' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2137:56: - - 2137 | - t139*t269*t297/0.24e2_dp)*sx - | ^ -Warning: 't138' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1940:19: - - 1940 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & - | ^ -note: 't138' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: - - 2135 | /0.3e1_dp - | ^ -Warning: 't135' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1940:13: - - 1940 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & - | ^ -note: 't135' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: - - 2135 | /0.3e1_dp - | ^ -Warning: 't134' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:95: - - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't134' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2249:70: - - 2249 | t674 = (-t601 - t614 + t627 - t629 - t630 + t633 + t653)*t132 - | ^ -Warning: 't132' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:89: - - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't132' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2116:42: - - 2116 | *t110*t273 - t109*t112/t26 - | ^ -Warning: 't13' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:83: - - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2256:25: - - 2256 | /0.3e1_dp - | ^ -Warning: 't129' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:78: - - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't129' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: - - 2135 | /0.3e1_dp - | ^ -Warning: 't125' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:72: - - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2069:25: - - 2069 | t182 = t181*t124 - | ^ -Warning: 't124' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:66: - - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't124' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: - - 2135 | /0.3e1_dp - | ^ -Warning: 't123' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:60: - - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2245:69: - - 2245 | t655 = (t601 + t614 - t627 - t629 - t630 + t633 + t653)*t121 - | ^ -Warning: 't121' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:54: - - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2087:24: +note: 't779' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2212:29: - 2087 | t225 = t224*t12 - | ^ -Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:48: + 2212 | *t1776 + | ^ +Warning: 't778' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:43: - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2104:25: + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't778' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2212:29: - 2104 | t262 = t230*t118 - | ^ -Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:37: + 2212 | *t1776 + | ^ +Warning: 't777' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:37: - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2106:27: +note: 't777' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2155:39: - 2106 | t265 = t117*R*t257 - | ^ -Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:31: + 2155 | t1785 = 0.2400e2_dp*t774 + | ^ +Warning: 't774' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:31: - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2137:56: +note: 't774' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2202:58: - 2137 | - t139*t269*t297/0.24e2_dp)*sx - | ^ -Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:25: + 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't773' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:25: - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2108:45: +note: 't773' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2202:58: - 2108 | t269 = REAL(t100, KIND=dp)/t115/t114 - | ^ -Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:19: + 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't772' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:19: - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2108:45: +note: 't772' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2152:64: - 2108 | t269 = REAL(t100, KIND=dp)/t115/t114 - | ^ -Warning: 't114' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:13: + 2152 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 + | ^ +Warning: 't771' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:13: - 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2116:42: +note: 't771' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2156:37: - 2116 | *t110*t273 - t109*t112/t26 - | ^ -Warning: 't112' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:97: + 2156 | t1786 = 0.80e1_dp*t769 + | ^ +Warning: 't769' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:91: - 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2242:26: + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't769' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2100:37: - 2242 | *t110*t273 - | ^ -Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:85: + 2100 | t1611 = 0.80e1_dp*t767 + | ^ +Warning: 't767' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:85: - 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2242:26: +note: 't767' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2092:36: - 2242 | *t110*t273 - | ^ -Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:79: + 2092 | t1603 = 0.2e1_dp*t766 + | ^ +Warning: 't766' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:79: - 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2111:30: +note: 't766' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2111 | t278 = t102*t103*t108 - | ^ -Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:73: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't764' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:73: - 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2112:23: - - 2112 | t283 = t106**2 - | ^ -Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:67: - - 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2113:25: +note: 't764' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 2113 | t285 = t105/t283 - | ^ -Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:61: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't762' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:61: - 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2109:35: +note: 't762' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2096:38: - 2109 | t272 = t101*t104*t108*t110 - | ^ -Warning: 't104' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:55: + 2096 | t1609 = 0.160e2_dp*t759 + | ^ +Warning: 't759' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:55: - 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2111:30: +note: 't759' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2202:58: - 2111 | t278 = t102*t103*t108 - | ^ -Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:49: + 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't758' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:49: - 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2111:30: +note: 't758' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2188:64: - 2111 | t278 = t102*t103*t108 - | ^ -Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:43: + 2188 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 + | ^ +Warning: 't757' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:43: - 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2109:35: +note: 't757' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2138:52: - 2109 | t272 = t101*t104*t108*t110 - | ^ -Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:37: + 2138 | t1730 = 0.160e2_dp*t755*t756*t252*t91 + | ^ +Warning: 't756' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:37: - 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1666:33: - - 1666 | t232 = 0.1e1_dp/t100/t99 - | ^ -Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1527:22: - - 1527 | t96, t97, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1722:46: - - 1722 | (-t385 - t341 + t387)*t95*t237 - | ^ -Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1527:17: - - 1527 | t96, t97, t99 - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1802:88: - - 1802 | - t580 + t618)*t95*t237 - | ^ -Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:95: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1802:88: - - 1802 | - t580 + t618)*t95*t237 - | ^ -Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:90: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1722:46: - - 1722 | (-t385 - t341 + t387)*t95*t237 - | ^ -Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:85: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1672:22: - - 1672 | t247 = t91**2 - | ^ -Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:80: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1673:24: - - 1673 | t249 = t90/t247 - | ^ -Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:75: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1623:23: - - 1623 | t134 = t133*t9 - | ^ -Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:70: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1668:23: - - 1668 | t234 = t86*t89 - | ^ -Warning: 't89' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:66: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1671:27: - - 1671 | t242 = t87*t88*t93 - | ^ -Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:61: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1671:27: - - 1671 | t242 = t87*t88*t93 - | ^ -Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:56: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1668:23: - - 1668 | t234 = t86*t89 - | ^ -Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:51: +note: 't756' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2188:64: - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1679:31: + 2188 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 + | ^ +Warning: 't755' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:31: - 1679 | t267 = t84*t233*R*t264 + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ -Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:41: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1789:28: - - 1789 | t580 = t23*t578*t83 - | ^ -Warning: 't83' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:36: - - 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1684:24: - - 1684 | t280 = t108*t66 - | ^ -Warning: 't66' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1525:53: - - 1525 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: - - 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1525:24: +note: 't755' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2091:39: - 1525 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1641:25: + 2091 | t1602 = 0.2400e2_dp*t753 + | ^ +Warning: 't753' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:25: - 1641 | t177 = t61*gamma + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ -Warning: 't61' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1524:50: - - 1524 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & - | ^ -note: 't61' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1795:21: - - 1795 | t612 = t3*t6 - | ^ -Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1524:45: - - 1524 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1749:24: - - 1749 | t462 = t59*t189 - | ^ -Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1524:29: +note: 't753' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2212:29: - 1524 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + 2212 | *t1776 | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1636:25: - - 1636 | t167 = t51*gamma - | ^ -Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:90: - - 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1646:32: - - 1646 | t189 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't50' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:67: - - 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1640:22: +Warning: 't752' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:19: - 1640 | t175 = t5*t39 - | ^ -Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:62: + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't752' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2146:49: - 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1747:23: + 2146 | t1768 = 0.2400e2_dp*t750*t253*t751 + | ^ +Warning: 't751' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:13: - 1747 | t458 = t49*t61 - | ^ -Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:58: + 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't751' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2202:58: - 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1645:22: - - 1645 | t186 = t4*t48 - | ^ -Warning: 't48' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:35: - - 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1633:25: - - 1633 | t159 = t42*gamma - | ^ -Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:74: - - 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1745:23: - - 1745 | t454 = t40*t51 - | ^ -Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:51: - - 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1632:22: - - 1632 | t157 = t4*rho - | ^ -Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:46: - - 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1643:26: - - 1643 | t182 = t4*t39*t30 - | ^ -Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:24: - - 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1622:25: - - 1622 | t133 = t33*gamma - | ^ -Warning: 't33' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1518:70: - - 1518 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^ -note: 't33' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1646:32: - - 1646 | t189 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1518:53: - - 1518 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1743:23: - - 1743 | t450 = t31*t42 - | ^ -Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1518:18: - - 1518 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1664:25: - - 1664 | t186*t191 - | ^ -Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1517:97: - - 1517 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1630:22: - - 1630 | t153 = t4*t29 - | ^ -Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1517:64: - - 1517 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1682:21: - - 1682 | t272 = R*t23 - | ^ -Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1516:29: - - 1516 | t22, t226, t229, t23, t232, t233, t234, t235, t237, t24, t242, t247, t249, t254, t256, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1625:22: - - 1625 | t138 = t21**2 - | ^ -Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1515:93: - - 1515 | t178, t18, t182, t183, t186, t189, t190, t191, t194, t196, t197, t199, t2, t200, t21, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1620:22: - - 1620 | t128 = t5*t17 - | ^ -Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1514:71: - - 1514 | t146, t153, t154, t157, t159, t16, t160, t163, t167, t168, t17, t171, t172, t175, t177, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1816:66: +Warning: 't750' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:94: - 1816 | *t233*t623/0.24e2_dp)*sx - | ^ -Warning: 't123' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:43: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't750' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1444:30: - 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1697:76: + 1444 | t239 = t75*t212 + | ^ +Warning: 't75' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:88: - 1697 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx - | ^ -Warning: 't121' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:37: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't75' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2095:37: - 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + 2095 | t1606 = 0.80e1_dp*t748 | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1697:76: - - 1697 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx - | ^ -Warning: 't119' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:31: - - 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1697:76: - - 1697 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx - | ^ -Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:25: +Warning: 't748' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:83: - 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't748' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2093:37: - 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:19: + 2093 | t1604 = 0.80e1_dp*t746 + | ^ +Warning: 't746' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:77: - 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1694:36: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't746' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2094:36: - 1694 | - 0.4e1_dp*t299*t116 + 2094 | t1605 = 0.2e1_dp*t745 | ^ -Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:96: - - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: - - 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't111' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:90: +Warning: 't745' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:71: - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't111' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1785:38: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't745' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2143:41: - 1785 | t566 = t3*t443*t140*t110*t103 - | ^ -Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:84: + 2143 | t1754 = 0.2e1_dp*t744*t254 + | ^ +Warning: 't744' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:65: - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1694:36: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't744' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: - 1694 | - 0.4e1_dp*t299*t116 - | ^ -Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:78: + 2249 | t2048)*t2)*sc + | ^ +Warning: 't743' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:59: - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1694:36: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't743' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2153:36: - 1694 | - 0.4e1_dp*t299*t116 + 2153 | t1782 = 0.2e1_dp*t742 | ^ -Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:72: - - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1805:37: - - 1805 | /0.3e1_dp*t626)*t106 - | ^ -Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:66: - - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1785:38: - - 1785 | t566 = t3*t443*t140*t110*t103 - | ^ -Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:54: +Warning: 't742' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:53: - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't742' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2144:41: - 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:48: + 2144 | t1764 = 0.2e1_dp*t741*t202 + | ^ +Warning: 't741' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:47: - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1771:25: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't741' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2032:40: - 1771 | t525 = t143*t101 - | ^ -Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:42: + 2032 | t1469 = t74**(-0.40e1_dp) + | ^ +Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:41: - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1666:33: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2207:29: - 1666 | t232 = 0.1e1_dp/t100/t99 - | ^ -Warning: 't100' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:36: + 2207 | *t1094 + | ^ +Warning: 't735' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:36: - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ -note: 't100' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1678:86: +note: 't735' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2103:42: - 1678 | t256)*t95*t237 - t94*t97/t29 - | ^ -Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:30: + 2103 | t1620 = 0.80e1_dp*t733*t254 + | ^ +Warning: 't733' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:30: - 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1328:43: - - 1328 | t231 = REAL(t85, KIND=dp)/t100/t99 - | ^ -Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:51: - - 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1384:50: - - 1384 | t94*(-t317 - t340 + t358)*t95*t235 - | ^ -Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:46: - - 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1466:88: - - 1466 | - t587 + t600)*t95*t235 - | ^ -Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:36: - - 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1466:88: - - 1466 | - t587 + t600)*t95*t235 - | ^ -Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:31: - - 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1384:50: - - 1384 | t94*(-t317 - t340 + t358)*t95*t235 - | ^ -Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:26: - - 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1333:22: - - 1333 | t245 = t91**2 - | ^ -Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:21: +note: 't733' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2243:80: - 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1334:24: + 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't732' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:24: - 1334 | t247 = t90/t245 + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ -Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:16: - - 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1283:23: - - 1283 | t135 = t134*t9 - | ^ -Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:11: - - 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1329:23: - - 1329 | t232 = t86*t89 - | ^ -Warning: 't89' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:97: - - 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1332:27: - - 1332 | t240 = t87*t88*t93 - | ^ -Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:92: - - 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1332:27: - - 1332 | t240 = t87*t88*t93 - | ^ -Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:87: - - 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1329:23: - - 1329 | t232 = t86*t89 - | ^ -Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:82: - - 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1339:33: - - 1339 | t263 = t84*t261/0.3e1_dp - | ^ -Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:72: - - 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1455:28: - - 1455 | t587 = t23*t585*t83 - | ^ -Warning: 't83' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:67: - - 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1322:29: - - 1322 | t221 = t66*t193*t219 - | ^ -Warning: 't66' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:26: - - 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1394:35: - - 1394 | t414 = ndrho*t141*t65*t114 - | ^ -Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1187:70: - - 1187 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1300:25: +note: 't732' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2118:42: - 1300 | t173 = t61*gamma - | ^ -Warning: 't61' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1187:18: + 2118 | t1666 = 0.80e1_dp*t730*t254 + | ^ +Warning: 't730' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:18: - 1187 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ -note: 't61' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1451:35: - - 1451 | t574 = t3*t6*t572/0.9e1_dp - | ^ -Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1186:73: - - 1186 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1414:24: - - 1414 | t471 = t59*t185 - | ^ -Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1186:63: - - 1186 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1295:25: - - 1295 | t163 = t51*gamma - | ^ -Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1185:27: - - 1185 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1305:32: - - 1305 | t185 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't50' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1185:22: - - 1185 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1359:22: - - 1359 | t312 = t5*t33 - | ^ -Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1185:17: - - 1185 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1412:23: - - 1412 | t467 = t49*t61 - | ^ -Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1184:64: +note: 't730' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1666:64: - 1184 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & + 1666 | *t583*t548)*t86)*t91 | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1304:22: - - 1304 | t182 = t4*t48 - | ^ -Warning: 't48' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1184:53: - - 1184 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & - | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1292:25: - - 1292 | t155 = t42*gamma - | ^ -Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1183:18: - - 1183 | t414, t42, t423, t426, t43, t434, t443, t450, t455, t456, t459, t46, t460, t463, t464, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1410:23: - - 1410 | t463 = t40*t51 - | ^ -Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1182:73: - - 1182 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1291:22: - - 1291 | t153 = t4*rho - | ^ -Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1182:68: - - 1182 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1302:26: - - 1302 | t178 = t4*t39*t30 - | ^ -Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1182:34: +Warning: 't73' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:12: - 1182 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1282:25: + 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't73' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2147:41: - 1282 | t134 = t33*gamma - | ^ -Warning: 't33' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1180:70: + 2147 | t1775 = 0.2e1_dp*t729*t305 + | ^ +Warning: 't729' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:93: - 1180 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^ -note: 't33' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1305:32: + 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ +note: 't729' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2120:32: - 1305 | t185 = 0.1e1_dp/t50/t32 + 2120 | t1671 = t728*t142 | ^ -Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1180:53: - - 1180 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1408:23: - - 1408 | t459 = t31*t42 - | ^ -Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1180:18: +Warning: 't728' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:87: - 1180 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1321:25: + 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ +note: 't728' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: - 1321 | t182*t187 - | ^ -Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1179:91: + 2173 | *t725*t371 + | ^ +Warning: 't725' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:81: - 1179 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1289:22: + 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ +note: 't725' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: - 1289 | t149 = t4*t29 - | ^ -Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1179:76: + 2173 | *t725*t371 + | ^ +Warning: 't722' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:75: - 1179 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1314:28: + 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ +note: 't722' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: - 1314 | t192 = t23*t190*t83 - | ^ -Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1178:30: + 2173 | *t725*t371 + | ^ +Warning: 't719' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:69: - 1178 | t225, t227, t228, t23, t231, t232, t233, t235, t24, t240, t245, t247, t259, t261, t263, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1285:22: + 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ +note: 't719' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: - 1285 | t139 = t21**2 - | ^ -Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1177:63: + 2173 | *t725*t371 + | ^ +Warning: 't716' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:63: - 1177 | t18, t182, t185, t186, t187, t190, t192, t193, t2, t21, t219, t22, t221, t223, t224, & + 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1280:22: - - 1280 | t129 = t5*t17 - | ^ -Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1176:65: - - 1176 | t153, t155, t156, t159, t16, t163, t164, t167, t168, t17, t171, t173, t174, t178, t179, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1358:56: - - 1358 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't124' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:31: - - 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't124' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1358:56: - - 1358 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't123' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:25: - - 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: - - 1356 | /0.3e1_dp - | ^ -Warning: 't120' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:19: - - 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't120' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: - - 1356 | /0.3e1_dp - | ^ -Warning: 't119' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:13: - - 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1473:70: - - 1473 | t655 = (-t574 - t587 + t600 - t605 - t606 + t609 + t632)*t117 - | ^ -Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:96: - - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1479:54: - - 1479 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't114' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:90: - - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: +note: 't716' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1841:35: - 1356 | /0.3e1_dp - | ^ -Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:84: + 1841 | t857 = 0.3e1_dp*t705 + | ^ +Warning: 't705' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:33: - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1460:47: + 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ +note: 't705' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2129:32: - 1460 | t605 = t3*t450*t141*t109*t103/0.9e1_dp - | ^ -Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:78: + 2129 | t1696 = t316*t704 + | ^ +Warning: 't704' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:27: - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: + 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ +note: 't704' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 1356 | /0.3e1_dp - | ^ -Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:72: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't697' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:66: - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1469:69: + 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't697' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 1469 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 - | ^ -Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:66: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't696' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:60: - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1460:47: + 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't696' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 1460 | t605 = t3*t450*t141*t109*t103/0.9e1_dp - | ^ -Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:54: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't691' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:54: - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1326:27: +note: 't691' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 1326 | t227 = t102*R*t219 - | ^ -Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:48: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't688' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:48: - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1358:56: +note: 't688' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 1358 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:42: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't687' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:42: - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1328:43: +note: 't687' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 1328 | t231 = REAL(t85, KIND=dp)/t100/t99 - | ^ -Warning: 't100' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:36: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't683' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:36: - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ -note: 't100' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1337:86: +note: 't683' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 1337 | t221)*t95*t235 - t94*t97/t29 - | ^ -Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:30: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't682' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:30: - 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:959:23: - - 959 | t204 = t203*t9 - | ^ -Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: - - 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:941:24: - - 941 | t160 = t85*t103 - | ^ -Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:952:25: - - 952 | t190 = t81*gamma - | ^ -Warning: 't81' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1026:24: - - 1026 | t399 = t79*t202 - | ^ -Warning: 't79' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:947:25: - - 947 | t180 = t71*gamma - | ^ -Warning: 't71' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:957:32: - - 957 | t202 = 0.1e1_dp/t70/t35 - | ^ -Warning: 't70' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1024:23: - - 1024 | t395 = t69*t81 - | ^ -Warning: 't69' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:956:22: - - 956 | t199 = t3*t68 - | ^ -Warning: 't68' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:932:25: - - 932 | t142 = t62*gamma - | ^ -Warning: 't62' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1022:23: - - 1022 | t391 = t60*t71 - | ^ -Warning: 't60' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1043:32: - - 1043 | t42*t43/0.4e1_dp - | ^ -Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1007:58: - - 1007 | *t313 - 0.80e2_dp/0.729e3_dp*t99*t195*t317 - | ^ -Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1015:22: - - 1015 | t376 = t5*t36 - | ^ -Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:976:22: - - 976 | t245 = t49**2 - | ^ -Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:939:28: - - 939 | t158 = 0.1e1_dp/t47 - | ^ -Warning: 't47' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1018:31: - - 1018 | - t42*t43*gamma - | ^ -Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:934:23: - - 934 | t154 = t42*t23 - | ^ -Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:929:28: - - 929 | t134 = 0.1e1_dp/t41 - | ^ -Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:994:51: - - 994 | ndrho/0.9e1_dp + t154*t285/0.4e1_dp - | ^ -Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:944:25: - - 944 | t167 = t36*gamma - | ^ -Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:957:32: - - 957 | t202 = 0.1e1_dp/t70/t35 - | ^ -Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1020:23: - - 1020 | t387 = t34*t62 - | ^ -Warning: 't34' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:928:40: - - 928 | t131 = 0.1e1_dp/t4/t33*gamma*t9 - | ^ -Warning: 't33' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:930:22: - - 930 | t137 = t3*t32 - | ^ -Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: - - 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:938:53: - - 938 | t42*t23*t124*t16 - t154*t131/0.8e1_dp - | ^ -Warning: 't26' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1043:32: - - 1043 | t42*t43/0.4e1_dp - | ^ -Warning: 't25' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:977:29: - - 977 | t248 = t21*t106/t245 - | ^ -Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:974:21: - - 974 | *t204 - | ^ -Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:942:22: - - 942 | t162 = t4*t17 - | ^ -Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:938:53: - - 938 | t42*t23*t124*t16 - t154*t131/0.8e1_dp - | ^ -Warning: 't16' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: - - 1058 | /0.2e1_dp))*sx - | ^ -Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: Warning: 't112' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: Warning: 't111' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: - - 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:978:25: - - 978 | t249 = t109*t102 - | ^ -Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:979:29: - - 979 | t255 = t21*t106*t108 - | ^ -Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: - - 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't107' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: - - 1058 | /0.2e1_dp))*sx - | ^ -Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1052:53: - - 1052 | t487 = t459*t160 + t472*t103 - t86*t211*t484 - | ^ -Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: - - 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: - - 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: Warning: 't96' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: - - 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: - - 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:719:27: - - 719 | t217 = t21*t91*t93 - | ^ -Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: - - 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't92' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: - - 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:699:23: - - 699 | t166 = t165*t9 - | ^ -Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:792:24: - - 792 | t436 = t435*t88 - | ^ -Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: - - 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: Warning: 't71' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:731:24: - - 731 | t249 = t120*t70 - | ^ -Warning: 't70' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:692:25: +note: 't682' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 692 | t152 = t66*gamma - | ^ -Warning: 't66' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:768:24: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't681' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:24: - 768 | t361 = t64*t164 + 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ -Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:687:25: - - 687 | t142 = t56*gamma - | ^ -Warning: 't56' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:697:32: - - 697 | t164 = 0.1e1_dp/t55/t37 - | ^ -Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:766:23: - - 766 | t357 = t54*t66 - | ^ -Warning: 't54' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:696:22: - - 696 | t161 = t3*t53 - | ^ -Warning: 't53' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:757:22: - - 757 | t340 = t5*t38 - | ^ -Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:684:25: - - 684 | t134 = t47*gamma - | ^ -Warning: 't47' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:764:23: - - 764 | t353 = t45*t56 - | ^ -Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:745:58: - - 745 | *t267 - 0.80e2_dp/0.729e3_dp*t84*t157*t271 - | ^ -Warning: 't44' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:730:22: - - 730 | t246 = t4*t38 - | ^ -Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: - - 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:697:32: - - 697 | t164 = 0.1e1_dp/t55/t37 - | ^ -Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:762:23: - - 762 | t349 = t36*t47 - | ^ -Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:694:26: - - 694 | t157 = t3*t44*t35 - | ^ -Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:756:46: - - 756 | /0.2e1_dp))*sx - | ^ -Warning: 't34' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: - - 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:716:22: - - 716 | t207 = t28**2 - | ^ -Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:678:22: - - 678 | t118 = t26**2 - | ^ -Warning: 't26' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: - - 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:714:21: - - 714 | *t166 - | ^ -Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:673:22: - - 673 | t108 = t4*t17 - | ^ -Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: - - 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: Warning: 't100' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbecke_roussel.mod' due to: xc_xbecke_roussel.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke_roussel.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbeef.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod cp_array_utils.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F xc_xbeef.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_xbeef.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:490:89: - - 490 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'dt' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:489:109: - - 489 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'ds_rho' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:490:89: - - 490 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'ds_ndrho' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:288:79: - - 288 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'dt' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:287:99: - - 287 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'ds_rho' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F:288:79: - - 288 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'ds_ndrho' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbeef.mod' due to: xc_xbeef.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbeef.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod cp_array_utils.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_pade.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_pade.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod base_hooks.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_pade.F xc_pade.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_pade.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_pade.mod' due to: xc_pade.o /build/reproducible-path/cp2k-8.1/src/xc/xc_pade.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod base_hooks.mod xc_functionals_utilities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_libxc_wrap.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc_wrap.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_log_handling.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc_wrap.F xc_libxc_wrap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_libxc_wrap.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_libxc_wrap.mod' due to: xc_libxc_wrap.o /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc_wrap.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_log_handling.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_libxc.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_libxc_wrap.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc.F xc_libxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_libxc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_libxc.mod' due to: xc_libxc.o /build/reproducible-path/cp2k-8.1/src/xc/xc_libxc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_libxc_wrap.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_sr_lda.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_sr_lda.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.fypp xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_functionals_utilities.mod xc_input_constants.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_sr_lda.F xc_sr_lda.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_sr_lda.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_sr_lda.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_sr_lda.mod' due to: xc_sr_lda.o /build/reproducible-path/cp2k-8.1/src/xc/xc_sr_lda.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.fypp xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_functionals_utilities.mod xc_input_constants.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xlda_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_set_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod kinds.mod base_hooks.mod mathconstants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_xlda_hole_t_c_lr.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: - - 291 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't68' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't67' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't25' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't15' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't14' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xlda_hole_t_c_lr.mod' due to: xc_xlda_hole_t_c_lr.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_set_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod kinds.mod base_hooks.mod mathconstants.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_b97.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_b97.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_input_constants.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_b97.F xc_b97.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:07:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_b97.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_b97.mod' due to: xc_b97.o /build/reproducible-path/cp2k-8.1/src/xc/xc_b97.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_input_constants.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_perdew_zunger.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_input_constants.mod base_hooks.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F xc_perdew_zunger.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_perdew_zunger.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:714:74: - - 714 | + trz*r(1)*z(0, 2) + tzz*z(0, 2)*z(1, 0) + tz*z(1, 2) - | ^ -Warning: 'tzz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:617:63: - - 617 | tzz, tzzz - | ^ -note: 'tzz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:682:56: - - 682 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) - | ^ -Warning: 'trz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:89: - - 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:682:56: - - 682 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) - | ^ -Warning: 'trr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:72: - - 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trr' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:675:41: - - 675 | ed(m + 1) = tr*r(1) + tz*z(0, 1) - | ^ -Warning: 'tz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:99: - - 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'tz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:673:37: +note: 't681' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 673 | ed(m) = tr*r(1) + tz*z(1, 0) - | ^ -Warning: 'tr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:67: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't679' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:13: - 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'tr' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:720:62: + 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't679' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 720 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) - | ^ -Warning: 'tzzz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:617:69: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't678' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:96: - 617 | tzz, tzzz - | ^ -note: 'tzzz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:706:74: + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't678' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1971:47: - 706 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) - | ^ -Warning: 'trzz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:95: + 1971 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't674' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:90: - 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trzz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:698:58: + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't674' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1971:47: - 698 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'trrz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:84: + 1971 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't667' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:84: - 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ -note: 'trrz' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:698:58: +note: 't667' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1971:47: - 698 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'trrr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:78: + 1971 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't666' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:78: - 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ -note: 'trrr' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_perdew_zunger.mod' due to: xc_perdew_zunger.o /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_zunger.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_input_constants.mod base_hooks.mod xc_functionals_utilities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xpbe_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_set_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod kinds.mod base_hooks.mod mathconstants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_xpbe_hole_t_c_lr.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't89' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1070:24: - - 1070 | t586 = t86*t225 - | ^ -Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1020:32: +note: 't666' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1960:32: - 1020 | t352 = 0.1e1_dp/t85/t33 + 1960 | t1238 = t874*t661 | ^ -Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: Warning: 't83' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't81' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1031:23: - - 1031 | t415 = t79*t21 - | ^ -Warning: 't79' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1066:38: - - 1066 | t531 = F1*t235*t34 - t77*t529 - | ^ -Warning: 't77' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't75' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1034:23: - - 1034 | t461 = t74*t21 - | ^ -Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't58' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1008:22: - - 1008 | t305 = t56**2 - | ^ -Warning: 't56' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't52' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1007:28: - - 1007 | t299 = 0.1e1_dp/t51 - | ^ -Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:978:47: - - 978 | t211 = 0.2e1_dp/0.3e1_dp*t50*t93*t7*t4 - | ^ -Warning: 't50' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't44' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:996:27: - - 996 | *t37*t248 - | ^ -Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't34' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1002:45: +Warning: 't661' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:66: - 1002 | t280 = 0.1e1_dp/t21*t33*t276*t1*t278 - | ^ -Warning: 't33' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:976:59: + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't661' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1964:43: - 976 | t204 = 4*t193*t185 + 5*t196*t197 + 6*t200*t31*t174 - | ^ -Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:991:24: + 1964 | t1252 = t865/t659/t282*t1250 + | ^ +Warning: 't659' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:60: - 991 | t242 = t27*t225 - | ^ -Warning: 't27' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't659' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 1028 | t406 = t25*t31 - | ^ -Warning: 't25' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:985:54: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't658' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:54: - 985 | *t41 - 0.9e1_dp/0.4e1_dp*t22*t221*t204 + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ -Warning: 't22' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1034:23: - - 1034 | t461 = t74*t21 - | ^ -Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:988:24: - - 988 | t232 = t19*t225 - | ^ -Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1014:22: - - 1014 | t330 = g4*t17 - | ^ -Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't158' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't155' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't152' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't151' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1009:34: - - 1009 | t307 = 0.1e1_dp/t305*t150 - | ^ -Warning: 't150' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't146' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't143' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't142' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't140' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't14' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't138' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't135' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't130' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:987:24: - - 987 | t229 = t13*t225 - | ^ -Warning: 't13' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't127' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't126' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't122' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:999:28: - - 999 | t272 = t268/t12/t13 - | ^ -Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't119' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:965:23: - - 965 | t183 = t12*t11 - | ^ -Warning: 't11' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: - - 1058 | Clda)*sx - | ^ -Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: - - 1090 | *t155)*Clda)*sx - | ^ -Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:653:49: - - 653 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 - | ^ -Warning: 't14' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: - - 779 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't99' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:696:42: - - 696 | *(t262 - t235*t41*t248)) - | ^ -Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: - - 779 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:709:29: - - 709 | t475 = t473*t87*t218 - | ^ -Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:701:23: - - 701 | t429 = t86*t56 - | ^ -Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:696:42: - - 696 | *(t262 - t235*t41*t248)) - | ^ -Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:696:42: Warning: 't77' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:722:23: - - 722 | t541 = t73*t21 - | ^ -Warning: 't73' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:772:38: - - 772 | t677 = F1*t279*t34 - t71*t675 - | ^ -Warning: 't71' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't58' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:701:23: - - 701 | t429 = t86*t56 - | ^ -Warning: 't56' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't52' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: +note: 't658' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 779 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:645:48: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't657' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:48: - 645 | t255 = 0.2e1_dp/0.3e1_dp*t50*t125*t7*t4 + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ -Warning: 't50' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't44' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:628:24: - - 628 | t217 = t216*t40 - | ^ -Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:664:27: - - 664 | *t37*t292 - | ^ -Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't35' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:658:24: - - 658 | t280 = t279*t34 - | ^ -Warning: 't34' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:705:33: - - 705 | t445 = 0.1e1_dp/t117/t33 - | ^ -Warning: 't33' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:720:25: - - 720 | t533 = t25*t31*C - | ^ -Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:643:63: - - 643 | t248 = 4*t237*t229 + 5*t240*t27*t218 + 6*t244*t31*t218 - | ^ -Warning: 't27' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:720:25: - - 720 | t533 = t25*t31*C - | ^ -Warning: 't25' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:653:49: - - 653 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 - | ^ -Warning: 't22' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:715:24: - - 715 | t504 = t429*t21 - | ^ -Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't202' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't199' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't196' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't195' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:676:34: - - 676 | t349 = 0.1e1_dp/t347*t194 - | ^ -Warning: 't194' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't190' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:704:24: - - 704 | t437 = t227*t19 - | ^ -Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't187' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't183' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't181' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't178' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't177' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't176' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't175' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't173' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't170' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:641:22: - - 641 | t240 = a4*t17 - | ^ -Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't167' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't164' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't163' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't159' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't156' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't155' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't152' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't150' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't147' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: Warning: 't144' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:781:25: - - 781 | t720 = t143*t269 - | ^ -Warning: 't143' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't142' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: 't140' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't136' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:655:24: - - 655 | t273 = t13*t269 - | ^ -Warning: 't13' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't129' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:644:34: - - 644 | t251 = t236*t125*t37*t248 - | ^ -Warning: 't125' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't123' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't121' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: - - 779 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:788:25: - - 788 | t808 = t118*t269 - | ^ -Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:705:33: - - 705 | t445 = 0.1e1_dp/t117/t33 - | ^ -Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:729:25: - - 729 | t612 = t429*t116 - | ^ -Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: - - 767 | Clda)*sx - | ^ -Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:681:23: - - 681 | t373 = t73*t11 - | ^ -Warning: 't11' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: - - 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:710:30: - - 710 | t479 = t108*t429*t331 - | ^ -Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:708:25: - - 708 | t473 = t424*t107 - | ^ -Warning: 't107' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:667:30: +note: 't657' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1961:30: - 667 | t314 = t312*t106*t107 + 1961 | t1244 = t654**2 | ^ -Warning: 't106' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:726:25: - - 726 | t603 = t437*t105 - | ^ -Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:724:29: - - 724 | t581 = t64*t118*t103 - | ^ -Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xpbe_hole_t_c_lr.mod' due to: xc_xpbe_hole_t_c_lr.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_set_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod kinds.mod base_hooks.mod mathconstants.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_lyp_adiabatic.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_lyp_adiabatic.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: - - 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) - | ^ -Warning: 't96' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:91: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't96' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: - - 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) - | ^ -Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:86: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: - - 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) - | ^ -Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:81: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:600:40: - - 600 | t250 = 4*t18*t78*t141*t91 - | ^ -Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:76: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: - - 619 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:71: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:592:37: - - 592 | t216 = 0.1e1_dp/t77/t9 - | ^ -Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:66: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:597:59: - - 597 | t231 = t14*t223*t225*lambda*t17*t87/0.3e1_dp - | ^ -Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:62: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: - - 619 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:57: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:569:38: - - 569 | t153 = 0.1e1_dp/t21/t84 - | ^ -Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:47: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:631:108: - - 631 | - t300 - 0.1111111111e0_dp*t115*t316) - | ^ -Warning: 't80' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:37: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:606:42: - - 606 | t280 = t102*t169*t78*lambda - | ^ -Warning: 't78' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:32: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't78' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:592:37: - - 592 | t216 = 0.1e1_dp/t77/t9 - | ^ -Warning: 't77' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:27: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't77' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:605:31: - - 605 | t276 = d*t76*t10 - | ^ -Warning: 't76' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:22: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:593:71: - - 593 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103 - | ^ -Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:17: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: - - 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) - | ^ -Warning: 't73' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:12: - - 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't73' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:599:66: - - 599 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103 - | ^ -Warning: 't67' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:90: +Warning: 't654' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:36: - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't67' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:639:61: + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't654' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1639:39: - 639 | *t355) + REAL(2*t65*my_ndrhoa, dp) - | ^ + 1639 | t542 = 0.1e1_dp/t540/t65 + | ^ Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:85: +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:24: - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ note: 't65' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:647:61: +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 647 | *t387) + REAL(2*t63*my_ndrhob, dp) + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ -Warning: 't63' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:80: - - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't63' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:561:41: - - 561 | t135 = 0.1e1_dp/t6/t19*t78 - | ^ -Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:70: - - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:627:67: - - 627 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 - | ^ -Warning: 't58' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:66: - - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't58' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:615:60: - - 615 | /0.3e1_dp*t285)*t55 - | ^ -Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:61: +Warning: 't648' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:19: - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:639:61: + 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't648' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 639 | *t355) + REAL(2*t65*my_ndrhoa, dp) + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ -Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:56: - - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:568:51: - - 568 | t151 = t14*t146*t141*t67*t5/0.3e1_dp - | ^ -Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:51: - - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:613:26: - - 613 | *t49 - | ^ -Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:47: - - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:590:132: - - 590 | *my_rhoa + t196)*t48 + t200*t47 - | ^ -Warning: 't48' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:42: - - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:627:67: - - 627 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 - | ^ -Warning: 't47' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:37: +Warning: 't644' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:96: - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:639:61: + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't644' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 639 | *t355) + REAL(2*t65*my_ndrhoa, dp) + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ -Warning: 't46' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:32: +Warning: 't643' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:90: - 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't46' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:610:26: + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't643' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 610 | *t42 - | ^ -Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:463:73: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't636' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:73: - 463 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:653:103: - - 653 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp) - | ^ -Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:463:68: - - 463 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:627:67: - - 627 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 - | ^ -Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:463:12: - - 463 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:645:34: - - 645 | t387 = t3*my_ndrhob - | ^ -Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:462:69: - - 462 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:590:132: - - 590 | *my_rhoa + t196)*t48 + t200*t47 - | ^ -Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:462:41: - - 462 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:647:61: +note: 't636' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 647 | *t387) + REAL(2*t63*my_ndrhob, dp) + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ -Warning: 't25' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:461:76: - - 461 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: - - 619 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't24' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:461:65: - - 461 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & - | ^ -note: 't24' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: - - 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) - | ^ -Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:461:48: - - 461 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:593:71: - - 593 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103 - | ^ -Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:92: - - 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:584:46: - - 584 | t194 = 0.1333333333e1_dp*t2*t42 - | ^ -Warning: 't2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:75: - - 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:653:103: - - 653 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp) - | ^ -Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:53: - - 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: - - 619 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't18' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:24: - - 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & - | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:597:59: - - 597 | t231 = t14*t223*t225*lambda*t17*t87/0.3e1_dp - | ^ -Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:459:88: - - 459 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:571:29: - - 571 | t162 = t15*t76 - | ^ -Warning: 't15' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:459:42: - - 459 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, & - | ^ -note: 't15' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: - - 619 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't119' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:49: - - 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:631:108: - - 631 | - t300 - 0.1111111111e0_dp*t115*t316) - | ^ -Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:43: - - 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: - - 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) - | ^ -Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:37: - - 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: - - 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) - | ^ -Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:31: - - 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: - - 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) - | ^ -Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:25: - - 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:599:66: - - 599 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103 - | ^ -Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:13: - - 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: - - 619 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:457:84: - - 457 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:560:43: - - 560 | t132 = 0.40e1_dp*t1*t129*t10 - | ^ -Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:457:79: - - 457 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, & - | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_lyp_adiabatic.mod' due to: xc_lyp_adiabatic.o /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_perdew86.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew86.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod xc_perdew_zunger.mod xc_input_constants.mod base_hooks.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew86.F xc_perdew86.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_perdew86.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_perdew86.mod' due to: xc_perdew86.o /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew86.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod xc_perdew_zunger.mod xc_input_constants.mod base_hooks.mod xc_functionals_utilities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xalpha.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xalpha.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod base_hooks.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xalpha.F xc_xalpha.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_xalpha.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xalpha.mod' due to: xc_xalpha.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xalpha.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod base_hooks.mod xc_functionals_utilities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_hcth.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_hcth.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod cp_log_handling.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_hcth.F xc_hcth.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_hcth.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_hcth.mod' due to: xc_hcth.o /build/reproducible-path/cp2k-8.1/src/xc/xc_hcth.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod cp_log_handling.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_optx.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_optx.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_optx.F xc_optx.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_optx.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_optx.mod' due to: xc_optx.o /build/reproducible-path/cp2k-8.1/src/xc/xc_optx.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_thomas_fermi.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_thomas_fermi.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod base_hooks.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_thomas_fermi.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_thomas_fermi.mod' due to: xc_thomas_fermi.o /build/reproducible-path/cp2k-8.1/src/xc/xc_thomas_fermi.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod base_hooks.mod xc_functionals_utilities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbecke88_long_range.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod cp_array_utils.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_xbecke88_long_range.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: +Warning: 't635' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:67: - 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ -Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:72: - - 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1261:104: - - 1261 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx - | ^ -Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:61: +note: 't635' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1313:70: - - 1313 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:56: - - 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1276:72: - - 1276 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 - | ^ -Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:45: - - 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1202:30: +Warning: 't634' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:61: - 1202 | t226 = t225*t90 - | ^ -Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:40: + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't634' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1273:55: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't631' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:55: - 1273 | t87 + 0.8000000000e1_dp*t393*t397 + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ -Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:29: - - 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1328:66: - - 1328 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 - | ^ -Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:12: - - 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1375:39: - - 1375 | t669 = 0.1e1_dp/t85/t667 - | ^ -Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:89: - - 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1374:28: - - 1374 | t667 = t84**2 - | ^ -Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:72: - - 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1159:28: - - 1159 | t140 = t8*rho - | ^ -Warning: 't8' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:61: +note: 't631' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1393:67: - - 1393 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 - | ^ -Warning: 't79' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:45: - - 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't79' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1215:30: - - 1215 | t255 = t77*t254 - | ^ -Warning: 't77' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:40: - - 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't77' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - - 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't76' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:29: - - 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1370:28: - - 1370 | t639 = t75**2 - | ^ -Warning: 't75' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:24: - - 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't75' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1276:72: - - 1276 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 - | ^ -Warning: 't72' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:84: - - 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ -note: 't72' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't71' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:73: +Warning: 't630' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:49: - 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ -note: 't71' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1120:27: + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't630' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 1120 | t69 = t7*rho - | ^ -Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:68: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't627' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:43: - 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1382:63: + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't627' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1953:63: - 1382 | /t69*t669) + 1953 | *t622*t874 - 0.9531842928e0_dp*t266*t887 | ^ -Warning: 't69' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:64: - - 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ -note: 't69' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - - 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't68' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:53: +Warning: 't622' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:37: - 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't622' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1950:32: - 1553 | t98*t1400 + 1950 | t1168 = t619*t269 | ^ -Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:12: - - 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1172:84: - - 1172 | 0.2222222224e0_dp*t24*t98*t155)*sx - | ^ -Warning: 't60' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:45: - - 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ -note: 't60' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - - 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:40: - - 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1498:31: +Warning: 't619' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:31: - 1498 | t1153 = t27*t590 + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ -Warning: 't590' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:36: - - 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ -note: 't590' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - - 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:30: - - 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: +note: 't619' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 1544 | *t36*t38*t1396 - | ^ -Warning: 't586' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:25: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't618' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:25: - 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ -note: 't586' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: +note: 't618' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't580' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:19: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't617' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:19: - 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ -note: 't580' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - - 1544 | *t36*t38*t1396 - | ^ -Warning: 't576' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:13: - - 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ -note: 't576' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't575' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:96: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't575' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - - 1544 | *t36*t38*t1396 - | ^ -Warning: 't574' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:90: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't574' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't573' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:84: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't573' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't572' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:78: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't572' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't571' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:72: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't571' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't570' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:66: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't570' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - - 1544 | *t36*t38*t1396 - | ^ -Warning: 't566' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:60: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't566' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - - 1544 | *t36*t38*t1396 - | ^ -Warning: 't562' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:54: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't562' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1169:26: - - 1169 | t151 - | ^ -Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:48: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't539' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:43: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't539' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't537' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:37: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't537' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't536' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:31: - - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't536' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: +note: 't617' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 1553 | t98*t1400 - | ^ -Warning: 't530' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:13: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't611' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:13: - 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ -note: 't530' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1586:49: +note: 't611' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 1586 | *sx - | ^ -Warning: 't529' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:93: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't610' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:93: - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ -note: 't529' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - - 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't526' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:87: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't526' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - - 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't525' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:81: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't525' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - - 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't521' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:75: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't521' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1184:59: - - 1184 | *t52 - 0.5000000001e0_dp*t41*t172*t46 - | ^ -Warning: 't52' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:69: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't52' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1367:38: - - 1367 | t624 = 0.1e1_dp/t8/t519 - | ^ -Warning: 't519' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:64: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't519' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - - 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't514' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:58: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't514' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - - 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't513' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:52: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't513' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1244:33: - - 1244 | t339 = t48*t10*t51 - | ^ -Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:46: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - - 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't508' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:41: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't508' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - - 1553 | t98*t1400 - | ^ -Warning: 't505' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:35: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't505' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - - 1553 | t98*t1400 - | ^ -Warning: 't502' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:29: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't502' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1586:49: - - 1586 | *sx - | ^ -Warning: 't501' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:23: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't501' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1382:63: - - 1382 | /t69*t669) - | ^ -Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:17: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1431:30: - - 1431 | t857 = t27*t496 - | ^ -Warning: 't496' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:13: - - 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't496' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1485:76: - - 1485 | + t1136) - | ^ -Warning: 't492' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:96: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't492' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:90: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't489' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:85: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't489' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't486' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:79: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't486' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't482' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:73: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't482' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't479' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:62: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't479' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: - - 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't478' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:56: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't478' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't473' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:50: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't473' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: - - 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't470' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:44: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't470' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: - - 1406 | REAL(t46, KIND=dp) - | ^ -Warning: 't47' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:38: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't467' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:33: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't467' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't466' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:27: - - 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't466' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't465' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:71: - - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't465' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't464' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:65: - - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't464' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - - 1477 | t41*t328*t466 - | ^ -Warning: 't463' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:59: - - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't463' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - - 1477 | t41*t328*t466 - | ^ -Warning: 't462' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:53: - - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't462' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't460' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:47: - - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't460' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1184:59: - - 1184 | *t52 - 0.5000000001e0_dp*t41*t172*t46 - | ^ -Warning: 't46' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:41: - - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't46' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't457' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:36: - - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't457' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't455' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:30: +note: 't610' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1426:30: - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + 1426 | t208 = t149*t61 | ^ -note: 't455' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1514:57: - - 1514 | + 0.5999999999e1_dp*t128*t132*t529 - | ^ -Warning: 't452' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:24: - - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't452' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't451' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:18: - - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't451' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1139:49: - - 1139 | t103 = EXP(-0.9000000000e1_dp*t44) - | ^ -Warning: 't44' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:12: - - 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't44' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - - 1544 | *t36*t38*t1396 - | ^ -Warning: 't435' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:94: - - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't435' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1153:34: - - 1153 | t130 = t128*t43*t94 - | ^ -Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:88: - - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: +Warning: 't61' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:87: - 1544 | *t36*t38*t1396 - | ^ -Warning: 't429' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:83: + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't61' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1944:32: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't429' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: + 1944 | t1151 = t607*t874 + | ^ +Warning: 't607' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:76: - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't428' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:77: + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't607' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't428' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1155:30: + 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't606' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:70: - 1155 | t133 = t42*t132 - | ^ -Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:71: + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't606' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: + 2089 | t1599)*t2)*sc + | ^ +Warning: 't605' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:64: - 1544 | *t36*t38*t1396 - | ^ -Warning: 't418' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:66: + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't605' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2137:80: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't418' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: + 2137 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 + | ^ +Warning: 't604' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:58: - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't417' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:60: + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't604' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't417' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: + 2215 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't603' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:52: - 1544 | *t36*t38*t1396 - | ^ -Warning: 't413' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:54: + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't603' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't413' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1304:30: + 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't602' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:46: - 1304 | t489 = t41*t135 - | ^ -Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:42: + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't602' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2102:42: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + 2102 | t1615 = 0.80e1_dp*t732*t601 | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - - 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't408' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:37: +Warning: 't601' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:40: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't408' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't601' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: - 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't405' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:31: + 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't600' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:34: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't405' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't600' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1451:70: - 1553 | t98*t1400 - | ^ -Warning: 't404' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:25: + 1451 | t73*(t243*t60 + 0.3177280975e0_dp*t246*t232)*t86 + | ^ +Warning: 't60' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:28: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't404' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't60' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: - 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't401' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:19: + 2089 | t1599)*t2)*sc + | ^ +Warning: 't599' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:19: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ -note: 't401' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: +note: 't599' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2137:80: - 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't400' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:13: + 2137 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 + | ^ +Warning: 't598' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:13: - 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ -note: 't400' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1152:30: +note: 't598' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: - 1152 | t128 = t40*t127 - | ^ -Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:92: + 2215 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't597' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:96: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't597' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: - 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't397' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:87: + 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't596' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:90: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't397' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't596' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: - 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't393' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:81: + 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't595' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:84: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't393' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1158:29: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't595' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: - 1158 | t137 = t39*t94 - | ^ -Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:75: + 2089 | t1599)*t2)*sc + | ^ +Warning: 't594' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:78: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't594' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: - 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't384' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:70: + 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't593' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:72: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't384' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't593' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1840:35: - 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't383' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:64: + 1840 | t851 = 0.3e1_dp*t592 + | ^ +Warning: 't592' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:66: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't383' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't592' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2148:32: - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't382' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:58: + 2148 | t1776 = t317*t591 + | ^ +Warning: 't591' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:60: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't382' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1257:68: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't591' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1257 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 - | ^ -Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:52: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't583' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:54: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't38' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't583' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't377' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:47: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't582' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:48: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't377' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't582' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't372' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:41: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't577' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:42: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't372' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1286:30: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't577' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1286 | t435 = t37*t196 - | ^ -Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:35: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't574' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:36: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't574' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1553 | t98*t1400 - | ^ -Warning: 't368' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:30: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't573' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:30: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ -note: 't368' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: +note: 't573' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1454:30: - 1553 | t98*t1400 - | ^ -Warning: 't365' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:24: + 1454 | t255 = t57*t254 + | ^ +Warning: 't57' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:24: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ -note: 't365' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: +note: 't57' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1553 | t98*t1400 - | ^ -Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:18: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't569' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:19: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1363:30: + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't569' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1363 | t601 = t27*t358 - | ^ -Warning: 't358' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:13: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't568' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:13: - 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ -note: 't358' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: +note: 't568' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1421 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't354' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:96: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't567' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:95: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't354' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't567' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1477 | t41*t328*t466 - | ^ -Warning: 't351' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:90: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't565' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:89: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't351' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't565' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1477 | t41*t328*t466 - | ^ -Warning: 't347' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:84: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't564' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:83: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't347' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't564' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2031:47: - 1406 | REAL(t46, KIND=dp) - | ^ -Warning: 't346' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:78: + 2031 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't560' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:77: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't346' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't560' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1422:30: - 1477 | t41*t328*t466 - | ^ -Warning: 't343' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:72: + 1422 | t204 = t140*t56 + | ^ +Warning: 't56' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:71: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't343' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't56' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2031:47: - 1477 | t41*t328*t466 - | ^ -Warning: 't339' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:61: + 2031 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't553' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:66: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't339' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't553' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2031:47: - 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't335' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:55: + 2031 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't552' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:60: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't335' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't552' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1508:56: - 1406 | REAL(t46, KIND=dp) - | ^ -Warning: 't330' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:49: + 1508 | t55 + t93 + t127)*sc + | ^ +Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:54: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't330' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2039:32: - 1477 | t41*t328*t466 - | ^ -Warning: 't328' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:43: + 2039 | t1510 = t874*t547 + | ^ +Warning: 't547' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:43: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ -note: 't328' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: +note: 't547' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2043:43: - 1477 | t41*t328*t466 - | ^ -Warning: 't326' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:37: + 2043 | t1524 = t865/t545/t230*t1522 + | ^ +Warning: 't545' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:37: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ -note: 't326' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: +note: 't545' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1421 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't325' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:31: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't544' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:31: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ -note: 't325' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1463:38: +note: 't544' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1463 | *t128*t323*t172 - | ^ -Warning: 't323' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:25: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't543' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:25: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ -note: 't323' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: +note: 't543' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2040:30: - 1421 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't321' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:19: + 2040 | t1516 = t540**2 + | ^ +Warning: 't540' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:13: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't321' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: + 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't540' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1386:30: - 1421 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't319' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:13: + 1386 | t148 = t147*t54 + | ^ +Warning: 't54' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:92: - 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't319' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: + 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1421 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't316' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:97: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't534' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:81: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't316' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: + 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't534' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1544 | *t36*t38*t1396 - | ^ -Warning: 't313' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:91: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't530' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:69: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't313' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: + 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't530' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't529' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:63: + + 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & | ^ -Warning: 't312' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:85: +note: 't529' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't312' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1226:31: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't522' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:51: - 1226 | *t30*t281 - | ^ -Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:73: + 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't522' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1485:76: +Warning: 't521' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:45: - 1485 | + t1136) - | ^ -Warning: 't304' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:68: + 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't521' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't304' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1144:26: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't520' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:39: - 1144 | t109 - | ^ -Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:62: + 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't520' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1229:28: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't517' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:33: - 1229 | t293 = t3*t55 - | ^ -Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:57: + 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't517' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't516' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:27: - 1544 | *t36*t38*t1396 - | ^ -Warning: 't297' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:53: + 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't516' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't513' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:70: + + 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't513' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1601:54: + + 1601 | t473*t435)*t51 + | ^ +Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:64: + + 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2024:63: + + 2024 | *t508*t874 - 0.9531842928e0_dp*t214*t887 + | ^ +Warning: 't508' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:59: + + 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't508' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2021:32: + + 2021 | t1391 = t505*t217 + | ^ +Warning: 't505' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:53: + + 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ -note: 't297' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: +note: 't505' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1544 | *t36*t38*t1396 - | ^ -Warning: 't293' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:47: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't504' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:47: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ -note: 't293' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1194:35: +note: 't504' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1194 | t211 = rho*t29*omega - | ^ -Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:41: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't503' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:41: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: +note: 't503' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1920:47: - 1544 | *t36*t38*t1396 - | ^ -Warning: 't289' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:36: + 1920 | t1088 = t5**(-0.1666666667e1_dp) + | ^ +Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:35: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't289' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: + 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't285' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:30: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't497' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:31: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't285' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: + 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't497' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1421 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't284' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:24: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't496' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:25: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't284' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: + 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't496' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2015:32: - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't281' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:18: + 2015 | t1374 = t493*t874 + | ^ +Warning: 't493' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:13: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't281' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1141:30: + 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't493' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2165:60: - 1141 | t105 = t28*t104 - | ^ -Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:12: + 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't492' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:96: - 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't492' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - 1544 | *t36*t38*t1396 + 2099 | + t842 - t1609 | ^ -Warning: 't271' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:95: - - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't271' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: +Warning: 't491' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:90: - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't270' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:89: + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't491' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't270' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: + 2099 | + t842 - t1609 + | ^ +Warning: 't490' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:84: - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't265' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:78: + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't490' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't265' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: + 2089 | t1599)*t2)*sc + | ^ +Warning: 't489' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:73: - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't264' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:72: + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't489' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't264' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: + 2099 | + t842 - t1609 + | ^ +Warning: 't488' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:67: - 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ -Warning: 't259' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:61: +note: 't488' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 2089 | t1599)*t2)*sc + | ^ +Warning: 't487' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:61: + + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ -note: 't259' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: +note: 't487' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: - 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't258' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:55: + 2215 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't486' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:55: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ -note: 't258' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: +note: 't486' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't255' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:49: + 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't485' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:49: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ -note: 't255' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: +note: 't485' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't254' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:43: + 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't484' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:43: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ -note: 't254' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: +note: 't484' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't251' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:37: + 2089 | t1599)*t2)*sc + | ^ +Warning: 't483' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:37: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ -note: 't251' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: +note: 't483' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: - 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't250' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:31: + 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't482' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:31: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ -note: 't250' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: +note: 't482' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2072:32: - 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't245' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:25: + 2072 | t1576 = t481*t254 + | ^ +Warning: 't481' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:25: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ -note: 't245' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: +note: 't481' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1839:35: - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't244' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:19: + 1839 | t842 = 0.3e1_dp*t480 + | ^ +Warning: 't480' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:19: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ -note: 't244' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: +note: 't480' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2145:32: - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't241' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:13: + 2145 | t1765 = t320*t479 + | ^ +Warning: 't479' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:13: - 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ -note: 't241' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: +note: 't479' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't24' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:96: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't473' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:96: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ -note: 't24' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't237' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:91: +note: 't473' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't237' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't472' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:90: - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't233' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:85: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't472' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't233' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't467' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:84: - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't232' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:79: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't467' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't232' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't464' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:78: - 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't230' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:67: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't464' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't230' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1140:34: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't463' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:72: - 1140 | t104 = 0.1e1_dp/t23 - | ^ -Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:61: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't463' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't459' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:66: - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't226' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:56: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't459' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't226' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't458' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:60: - 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't225' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:50: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't458' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't225' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't457' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:54: - 1442 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't222' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:44: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't457' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + 1900 | *t45*t1020*t984*t1027 | ^ -note: 't222' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1368:30: - - 1368 | t628 = t221*t76 - | ^ -Warning: 't221' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:38: +Warning: 't455' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:48: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't221' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1119:34: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't455' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 1119 | t68 = rho*t22*omega - | ^ -Warning: 't22' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:32: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't454' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:42: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't22' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1382:63: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't454' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1876:39: - 1382 | /t69*t669) - | ^ -Warning: 't219' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:27: + 1876 | *t896 - t189*t914 + | ^ +Warning: 't450' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:36: - 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't219' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't450' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1417:30: - 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't216' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:70: + 1417 | t195 = t45*t173 + | ^ +Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:30: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't216' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't213' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:64: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't447' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:25: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't213' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't447' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't212' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:58: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't444' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:19: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't212' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't444' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1868:31: - 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't211' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:52: + 1868 | t945 = t443*t873 + | ^ +Warning: 't443' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:13: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't211' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1232:30: + 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't443' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1876:39: - 1232 | t311 = t126*t21 - | ^ -Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:46: + 1876 | *t896 - t189*t914 + | ^ +Warning: 't440' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:96: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: + 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't440' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1876:39: - 1553 | t98*t1400 - | ^ -Warning: 't207' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:41: + 1876 | *t896 - t189*t914 + | ^ +Warning: 't439' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:90: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't207' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1263:30: + 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't439' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1885:32: - 1263 | t365 = t27*t200 - | ^ -Warning: 't200' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:35: + 1885 | t1013 = t874*t434 + | ^ +Warning: 't434' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:78: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't200' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1346:29: + 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't434' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1889:43: - 1346 | t576 = t2*t501 - | ^ -Warning: 't2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:29: + 1889 | t1027 = t865/t432/t178*t1025 + | ^ +Warning: 't432' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:72: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1313:70: + 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't432' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1313 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't196' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:25: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't431' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:66: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't196' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: + 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't431' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1477 | t41*t328*t466 - | ^ -Warning: 't190' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:19: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't430' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:60: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't190' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: + 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't430' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1886:30: - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't186' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:13: + 1886 | t1019 = t427**2 + | ^ +Warning: 't427' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:48: - 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't186' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: + 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't427' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't185' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:96: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't421' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:36: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't185' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1176:59: + 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't421' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1176 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 - | ^ -Warning: 't18' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:90: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't417' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:19: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: + 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't417' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't177' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:85: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't416' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:13: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't177' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1318:79: + 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't416' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1318 | *t24*t98*t496)*sx - | ^ -Warning: 't173' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:73: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't409' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:87: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't173' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1355:35: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't409' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1355 | *t36*t38*t586 - | ^ -Warning: 't172' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:67: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't408' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:81: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't172' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1122:28: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't408' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1122 | t72 = t71*t17 - | ^ -Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:61: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't407' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:75: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1331:41: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't407' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 1331 | - 0.20e1_dp*t6*t526 - | ^ -Warning: 't169' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:56: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't406' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:69: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't169' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1266:31: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't406' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1266 | t377 = t225*t168 - | ^ -Warning: 't168' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:50: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't403' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:63: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't168' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1203:38: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't403' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1203 | t230 = 0.1e1_dp/t75/t16 - | ^ -Warning: 't16' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:44: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't402' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:57: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1193:30: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't402' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1413:30: - 1193 | t207 = t27*t155 + 1413 | t189 = t40*t155 | ^ -Warning: 't155' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:32: - - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1257:68: +Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:51: - 1257 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 - | ^ -Warning: 't151' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:26: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't40' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1525:35: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't151' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1308:82: + 1525 | t355 = t4**0.20e1_dp + | ^ +Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:46: - 1308 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 - | ^ -Warning: 't148' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:20: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't148' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't399' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:42: - 1477 | t41*t328*t466 - | ^ -Warning: 't147' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:93: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't399' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1865:62: - 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^ -note: 't147' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: + 1865 | *t394*t874 - 0.9531842928e0_dp*t161*t887 + | ^ +Warning: 't394' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:36: - 1477 | t41*t328*t466 + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ -Warning: 't146' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:80: - - 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^ -note: 't146' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1308:82: +note: 't394' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2031:47: - 1308 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 - | ^ -Warning: 't143' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:60: + 2031 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't393' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:30: - 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^ -note: 't143' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1245:35: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't393' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1877:39: - 1245 | t343 = t141*t135*t46 - | ^ -Warning: 't141' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:47: + 1877 | t972 = t39**(-0.40e1_dp) + | ^ +Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:12: - 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^ -note: 't141' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: + 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't140' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:20: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't389' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:95: - 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^ -note: 't140' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't389' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1861:49: - 1406 | REAL(t46, KIND=dp) - | ^ -Warning: 't137' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:89: + 1861 | t903 = 0.1211413728e1_dp*t388*t873 + | ^ +Warning: 't388' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:89: - 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ -note: 't137' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: +note: 't388' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1858:31: - 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't136' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:83: + 1858 | t893 = t385*t164 + | ^ +Warning: 't385' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:83: - 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1304:30: +note: 't385' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1304 | t489 = t41*t135 - | ^ -Warning: 't135' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:77: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't384' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:77: - 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ -note: 't135' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1219:69: +note: 't384' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1219 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 - | ^ -Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:50: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't383' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:71: - 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1514:57: + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't383' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2017:32: - 1514 | + 0.5999999999e1_dp*t128*t132*t529 - | ^ -Warning: 't132' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:44: + 2017 | t1380 = t379*t217 + | ^ +Warning: 't379' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:60: - 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't132' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1219:69: + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't379' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1219 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 - | ^ -Warning: 't130' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:38: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't376' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:54: - 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't130' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1237:35: + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't376' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 1237 | t321 = t128*t43*t258 - | ^ -Warning: 't128' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:25: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't375' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:48: - 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't128' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1299:30: + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't375' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2013:32: - 1299 | t473 = t94*t127 - | ^ -Warning: 't127' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:19: + 2013 | t1371 = t372*t217 + | ^ +Warning: 't372' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:36: - 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't127' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1232:30: + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't372' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2212:29: - 1232 | t311 = t126*t21 - | ^ -Warning: 't126' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:13: + 2212 | *t1776 + | ^ +Warning: 't371' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:30: - 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1313:70: + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't371' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1844:40: - 1313 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't122' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:85: + 1844 | t864 = 0.1e1_dp/t370/t130 + | ^ +Warning: 't370' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:24: - 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't122' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1174:67: + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't370' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1601:54: - 1174 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 - | ^ -Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:79: + 1601 | t473*t435)*t51 + | ^ +Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:18: - 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1257:68: + 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1851:31: - 1257 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 - | ^ -Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:74: + 1851 | t875 = t367*t874 + | ^ +Warning: 't367' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:87: - 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't367' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2014:38: - 1544 | *t36*t38*t1396 - | ^ -Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:61: + 2014 | t1372 = t366*t212*t1371 + | ^ +Warning: 't366' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:81: - 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't366' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2165:60: - 1553 | t98*t1400 - | ^ -Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:41: + 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't365' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:75: - 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't365' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - 1544 | *t36*t38*t1396 + 2099 | + t842 - t1609 | ^ -Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:89: +Warning: 't364' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:69: - 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't364' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - 1456 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't112' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:83: + 2099 | + t842 - t1609 + | ^ +Warning: 't363' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:63: - 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't363' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2009:32: - 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't11' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:70: + 2009 | t1361 = t362*t202 + | ^ +Warning: 't362' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:57: - 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1284:66: + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't362' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2075:32: - 1284 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172 - | ^ -Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:58: + 2075 | t1582 = t359*t254 + | ^ +Warning: 't359' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:51: - 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1355:35: + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't359' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2073:32: - 1355 | *t36*t38*t586 - | ^ -Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:45: + 2073 | t1578 = t357*t254 + | ^ +Warning: 't357' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:45: - 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1364:36: +note: 't357' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2142:75: - 1364 | t605 = rho*t104*omega - | ^ -Warning: 't104' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:32: + 2142 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 + | ^ +Warning: 't356' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:39: - 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1355:35: + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't356' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2130:32: - 1355 | *t36*t38*t586 - | ^ -Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:26: + 2130 | t1697 = t315*t355 + | ^ +Warning: 't355' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:33: - 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1174:67: + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't355' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2010:32: - 1174 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 - | ^ -Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1037:77: + 2010 | t1363 = t353*t254 + | ^ +Warning: 't353' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:27: - 1037 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1186:69: + 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't353' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2202:58: - 1186 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 - | ^ -Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1037:72: + 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't352' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:72: - 1037 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & + 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: - - 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:287:26: +note: 't352' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1939:32: - 287 | REAL(kind=dp) :: t98, t99, xx - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:492:94: + 1939 | t1137 = t351*t305 + | ^ +Warning: 't351' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:66: - 492 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx - | ^ -Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:67: + 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't351' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1930:32: - 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:544:70: + 1930 | t1110 = t350*t142 + | ^ +Warning: 't350' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:60: - 544 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:62: + 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't350' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2111:34: - 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:507:72: + 2111 | *t136*t1639 + | ^ +Warning: 't347' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:54: - 507 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 - | ^ -Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:51: + 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't347' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1928:28: - 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:433:30: + 1928 | t1096 + | ^ +Warning: 't344' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:48: - 433 | t226 = t225*t90 - | ^ -Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:46: + 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't344' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2225:34: - 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:504:55: + 2225 | *t136*t1986 + | ^ +Warning: 't343' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:42: - 504 | t87 + 0.8000000000e1_dp*t393*t397 - | ^ -Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:35: + 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't343' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2152:64: - 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:559:66: + 2152 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 + | ^ +Warning: 't340' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:36: - 559 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 - | ^ -Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:18: + 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't340' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2207:29: - 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:606:39: + 2207 | *t1094 + | ^ +Warning: 't338' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:25: - 606 | t669 = 0.1e1_dp/t85/t667 - | ^ -Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:95: + 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't338' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2188:64: - 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:605:28: + 2188 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 + | ^ +Warning: 't337' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:19: - 605 | t667 = t84**2 - | ^ -Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:78: + 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't337' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2142:75: - 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:390:31: + 2142 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 + | ^ +Warning: 't333' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:13: - 390 | t140 = t8*my_rho - | ^ -Warning: 't8' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:67: + 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't333' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2225:34: - 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:624:67: + 2225 | *t136*t1986 + | ^ +Warning: 't332' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:96: - 624 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 - | ^ -Warning: 't79' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:51: + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't332' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: - 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't79' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:446:30: + 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't329' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:90: - 446 | t255 = t77*t254 - | ^ -Warning: 't77' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:46: + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't329' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1835:88: - 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't77' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't328' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:84: - 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't76' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:35: + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't328' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1821:31: - 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:601:28: + 1821 | t825 = t732*t327 + | ^ +Warning: 't327' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:78: - 601 | t639 = t75**2 - | ^ -Warning: 't75' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:30: + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't327' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1835:88: - 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't75' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:507:72: + 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't326' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:72: - 507 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ -Warning: 't72' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:90: +note: 't326' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: - 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc | ^ -note: 't72' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't71' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:79: - - 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't71' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:351:30: - - 351 | t69 = t7*my_rho - | ^ -Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:74: +Warning: 't325' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:66: - 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:613:63: + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't325' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1835:88: - 613 | /t69*t669) - | ^ -Warning: 't69' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:70: + 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't324' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:60: - 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't69' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't324' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1835:88: - 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't68' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:59: + 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't323' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:54: - 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't323' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2101:32: - 784 | t98*t1400 + 2101 | t1613 = t322*t591 | ^ -Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:18: - - 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:403:74: - - 403 | 0.2222222224e0_dp*t24*t98*t155)*sx - | ^ -Warning: 't60' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:51: - - 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't60' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: - - 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:46: +Warning: 't322' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:48: - 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:729:31: + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't322' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1835:88: - 729 | t1153 = t27*t590 - | ^ -Warning: 't590' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:42: + 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't321' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:42: - 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ -note: 't590' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: +note: 't321' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2145:32: - 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:36: + 2145 | t1765 = t320*t479 + | ^ +Warning: 't320' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:36: - 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - - 775 | *t36*t38*t1396 - | ^ -Warning: 't586' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:31: - - 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't586' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: +note: 't320' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2148:32: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't580' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:25: + 2148 | t1776 = t317*t591 + | ^ +Warning: 't317' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:25: - 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ -note: 't580' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: +note: 't317' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2129:32: - 775 | *t36*t38*t1396 - | ^ -Warning: 't576' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:19: + 2129 | t1696 = t316*t704 + | ^ +Warning: 't316' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:19: - 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ -note: 't576' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: +note: 't316' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2130:32: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't575' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:13: + 2130 | t1697 = t315*t355 + | ^ +Warning: 't315' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:13: - 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ -note: 't575' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: +note: 't315' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2225:34: - 775 | *t36*t38*t1396 - | ^ -Warning: 't574' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:96: + 2225 | *t136*t1986 + | ^ +Warning: 't312' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:94: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't574' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't312' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1751:31: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't573' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:90: + 1751 | t730 = t352*t309 + | ^ +Warning: 't309' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:88: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't573' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't309' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1739:35: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't572' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:84: + 1739 | t715 = 0.2e1_dp*t306 + | ^ +Warning: 't306' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:82: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't572' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't306' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2147:41: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't571' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:78: + 2147 | t1775 = 0.2e1_dp*t729*t305 + | ^ +Warning: 't305' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:76: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't571' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't305' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2123:54: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't570' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:72: + 2123 | t1690 = 0.2400e2_dp*t771*t304*t133*t309 + | ^ +Warning: 't304' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:70: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't570' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't304' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1491:32: - 775 | *t36*t38*t1396 - | ^ -Warning: 't566' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:66: + 1491 | t309 = -t3 - t132 + | ^ +Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:64: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't566' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 775 | *t36*t38*t1396 - | ^ -Warning: 't562' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:60: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't298' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:60: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ -note: 't562' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:400:26: +note: 't298' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1724:31: - 400 | t151 - | ^ -Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:54: + 1724 | t691 = t297*t393 + | ^ +Warning: 't297' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:54: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't539' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:49: - - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't539' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: +note: 't297' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't537' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:43: + 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't295' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:48: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't537' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't295' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1718:31: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't536' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:37: + 1718 | t679 = t678*t294 + | ^ +Warning: 't294' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:42: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't536' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't294' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1720:31: - 784 | t98*t1400 - | ^ -Warning: 't530' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:19: + 1720 | t682 = t293*t681 + | ^ +Warning: 't293' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:36: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't530' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:817:44: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't293' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1717:43: - 817 | *sx - | ^ -Warning: 't529' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:13: + 1717 | t674*t619 - t291*t627 + | ^ +Warning: 't291' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:30: - 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't529' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't291' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1571:39: - 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't526' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:93: + 1571 | t429 = 0.1e1_dp/t427/t29 + | ^ +Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:24: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't526' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1971:47: - 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't525' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:87: + 1971 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't288' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:19: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't525' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't288' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1971:47: - 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't521' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:81: + 1971 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't287' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:13: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't521' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:415:59: + 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't287' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1704:31: - 415 | *t52 - 0.5000000001e0_dp*t41*t172*t46 - | ^ -Warning: 't52' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:75: + 1704 | t651 = t379*t283 + | ^ +Warning: 't283' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:89: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't52' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:598:38: + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't283' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1964:43: - 598 | t624 = 0.1e1_dp/t8/t519 - | ^ -Warning: 't519' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:70: + 1964 | t1252 = t865/t659/t282*t1250 + | ^ +Warning: 't282' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:83: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't519' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't282' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1963:30: - 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't514' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:64: + 1963 | t1250 = t280**2 + | ^ +Warning: 't280' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:77: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't514' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't280' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't513' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:58: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't279' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:66: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't513' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:475:33: + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't279' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1703:31: - 475 | t339 = t48*t10*t51 - | ^ -Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:52: + 1703 | t648 = t278*t393 + | ^ +Warning: 't278' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:60: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't278' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1957:41: - 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't508' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:47: + 1957 | t1218 = 0.1e1_dp/t654/t276 + | ^ +Warning: 't276' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:48: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't508' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't276' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 784 | t98*t1400 - | ^ -Warning: 't505' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:41: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't273' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:42: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't505' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't273' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1696:31: - 784 | t98*t1400 - | ^ -Warning: 't502' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:35: + 1696 | t634 = t272*t406 + | ^ +Warning: 't272' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:36: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't502' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:817:44: + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't272' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1733:62: - 817 | *sx - | ^ -Warning: 't501' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:29: + 1733 | *t697*t662)*t122) + | ^ +Warning: 't269' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:25: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't501' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:613:63: + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't269' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1953:63: - 613 | /t69*t669) + 1953 | *t622*t874 - 0.9531842928e0_dp*t266*t887 | ^ -Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:23: - - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:662:30: - - 662 | t857 = t27*t496 - | ^ -Warning: 't496' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:19: +Warning: 't266' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:19: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ -note: 't496' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:716:76: +note: 't266' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 716 | + t1136) - | ^ -Warning: 't492' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:13: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't265' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:13: - 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ -note: 't492' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: +note: 't265' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1943:38: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:96: + 1943 | t1149 = t366*t264*t1148 + | ^ +Warning: 't264' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:97: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't264' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1948:30: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't489' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:91: + 1948 | t1165 = t263**2 + | ^ +Warning: 't263' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:91: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ -note: 't489' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: +note: 't263' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't486' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:85: + 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't260' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:85: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ -note: 't486' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: +note: 't260' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't482' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:79: + 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't259' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:79: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ -note: 't482' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: +note: 't259' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1742:88: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't479' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:68: + 1742 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc + | ^ +Warning: 't258' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:73: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't479' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't258' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1669:31: - 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't478' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:62: + 1669 | t594 = t352*t257 + | ^ +Warning: 't257' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:67: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't478' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't257' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't473' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:56: + 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't256' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:61: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't473' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't256' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1738:35: - 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't470' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:50: + 1738 | t712 = 0.2e1_dp*t255 + | ^ +Warning: 't255' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:55: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't470' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't255' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1613:31: - 637 | REAL(t46, KIND=dp) - | ^ -Warning: 't47' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:44: + 1613 | t491 = t144*t254 + | ^ +Warning: 't254' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:49: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't254' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2146:49: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't467' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:39: + 2146 | t1768 = 0.2400e2_dp*t750*t253*t751 + | ^ +Warning: 't253' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:43: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't467' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't253' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2138:52: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't466' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:33: + 2138 | t1730 = 0.160e2_dp*t755*t756*t252*t91 + | ^ +Warning: 't252' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:37: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't466' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't252' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't465' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:27: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't246' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:31: - 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't465' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't246' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1657:31: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't464' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:71: + 1657 | t577 = t245*t393 + | ^ +Warning: 't245' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:25: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't464' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't245' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - 708 | t41*t328*t466 - | ^ -Warning: 't463' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:65: + 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't243' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:19: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't463' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't243' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1651:31: - 708 | t41*t328*t466 - | ^ -Warning: 't462' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:59: + 1651 | t565 = t564*t242 + | ^ +Warning: 't242' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:13: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't462' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: + 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't242' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1653:31: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't460' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:53: + 1653 | t568 = t241*t567 + | ^ +Warning: 't241' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:95: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't460' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:415:59: + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't241' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1388:30: - 415 | *t52 - 0.5000000001e0_dp*t41*t172*t46 - | ^ -Warning: 't46' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:47: + 1388 | t150 = t149*t24 + | ^ +Warning: 't24' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:89: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't24' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1650:43: + + 1650 | t560*t505 - t239*t513 + | ^ +Warning: 't239' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:84: + + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't239' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2031:47: + + 2031 | *t560*t1394 - t239*t1404 | ^ -note: 't46' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: +Warning: 't236' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:78: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't457' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:42: + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't236' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1637:31: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't457' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: + 1637 | t537 = t379*t231 + | ^ +Warning: 't231' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:60: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't455' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:36: + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't231' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2043:43: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't455' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:745:57: + 2043 | t1524 = t865/t545/t230*t1522 + | ^ +Warning: 't230' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:54: - 745 | + 0.5999999999e1_dp*t128*t132*t529 - | ^ -Warning: 't452' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:30: + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't230' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1420:70: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't452' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 1420 | t37*(t193*t23 + 0.3177280975e0_dp*t196*t180)*t51 + | ^ +Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:48: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't451' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:24: + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2042:30: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't451' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:370:49: + 2042 | t1522 = t228**2 + | ^ +Warning: 't228' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:43: - 370 | t103 = EXP(-0.9000000000e1_dp*t44) - | ^ -Warning: 't44' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:18: + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't228' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't44' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't227' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:37: - 775 | *t36*t38*t1396 + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ -Warning: 't435' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:13: +note: 't227' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1636:31: - 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + 1636 | t534 = t226*t393 + | ^ +Warning: 't226' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:31: + + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't226' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2036:41: + + 2036 | t1490 = 0.1e1_dp/t540/t224 + | ^ +Warning: 't224' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:19: + + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't224' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: + + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't221' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:13: + + 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ -note: 't435' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:384:34: +note: 't221' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1629:31: - 384 | t130 = t128*t43*t94 - | ^ -Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:93: + 1629 | t520 = t220*t406 + | ^ +Warning: 't220' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:94: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't220' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1666:64: - 775 | *t36*t38*t1396 - | ^ -Warning: 't429' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:88: + 1666 | *t583*t548)*t86)*t91 + | ^ +Warning: 't217' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:88: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ -note: 't429' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: +note: 't217' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2024:63: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't428' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:82: + 2024 | *t508*t874 - 0.9531842928e0_dp*t214*t887 + | ^ +Warning: 't214' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:82: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ -note: 't428' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:386:30: +note: 't214' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 386 | t133 = t42*t132 - | ^ -Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:76: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't213' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:76: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: +note: 't213' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2014:38: - 775 | *t36*t38*t1396 - | ^ -Warning: 't418' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:71: + 2014 | t1372 = t366*t212*t1371 + | ^ +Warning: 't212' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:70: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't418' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't212' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2019:30: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't417' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:65: + 2019 | t1388 = t211**2 + | ^ +Warning: 't211' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:64: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't417' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't211' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - 775 | *t36*t38*t1396 - | ^ -Warning: 't413' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:59: + 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't208' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:58: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't413' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:535:30: + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't208' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: - 535 | t489 = t41*t135 - | ^ -Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:47: + 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't207' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:52: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't207' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1742:88: - 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't408' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:42: + 1742 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc + | ^ +Warning: 't206' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:46: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't408' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't206' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: - 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't405' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:36: + 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't205' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:40: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't405' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't205' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2074:32: - 784 | t98*t1400 + 2074 | t1580 = t204*t591 | ^ -Warning: 't404' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:30: +Warning: 't204' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:27: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't404' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't204' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1737:35: - 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't401' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:24: + 1737 | t709 = 0.2e1_dp*t203 + | ^ +Warning: 't203' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1241:77: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't401' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + 1241 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 + | ^ +note: 't203' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2144:41: - 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't400' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:18: + 2144 | t1764 = 0.2e1_dp*t741*t202 + | ^ +Warning: 't202' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1241:64: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't400' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:383:30: + 1241 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 + | ^ +note: 't202' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1508:56: - 383 | t128 = t40*t127 - | ^ -Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:12: + 1508 | t55 + t93 + t127)*sc + | ^ +Warning: 't2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1241:25: - 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + 1241 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 + | ^ +note: 't2' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't397' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:93: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't196' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1240:72: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't397' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^ +note: 't196' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1592:31: - 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't393' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:87: + 1592 | t467 = t195*t393 + | ^ +Warning: 't195' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1240:66: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't393' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:389:29: + 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^ +note: 't195' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - 389 | t137 = t39*t94 - | ^ -Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:81: + 1900 | *t45*t1020*t984*t1027 + | ^ +Warning: 't193' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1240:39: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^ +note: 't193' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1586:31: - 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't384' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:76: + 1586 | t455 = t454*t192 + | ^ +Warning: 't192' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1240:33: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't384' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^ +note: 't192' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1588:31: - 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't383' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:70: + 1588 | t458 = t191*t457 + | ^ +Warning: 't191' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1240:27: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't383' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: + 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^ +note: 't191' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1585:43: - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't382' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:64: + 1585 | t450*t385 - t189*t399 + | ^ +Warning: 't189' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1239:61: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't382' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:488:68: + 1239 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & + | ^ +note: 't189' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1733:62: - 488 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 - | ^ -Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:58: + 1733 | *t697*t662)*t122) + | ^ +Warning: 't186' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1239:20: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't38' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + 1239 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & + | ^ +note: 't186' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1581:31: - 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't377' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:53: + 1581 | t447 = t185*t337 + | ^ +Warning: 't185' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1238:80: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't377' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: + 1238 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & + | ^ +note: 't185' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1876:39: - 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't372' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:47: + 1876 | *t896 - t189*t914 + | ^ +Warning: 't184' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1238:74: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't372' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:517:30: + 1238 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & + | ^ +note: 't184' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1392:30: - 517 | t435 = t37*t196 + 1392 | t156 = t18*t155 | ^ -Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:41: +Warning: 't18' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1237:94: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + 1237 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & + | ^ +note: 't18' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1569:31: - 784 | t98*t1400 - | ^ -Warning: 't368' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:36: + 1569 | t424 = t379*t179 + | ^ +Warning: 't179' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1237:75: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't368' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + 1237 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & + | ^ +note: 't179' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1889:43: - 784 | t98*t1400 - | ^ -Warning: 't365' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:30: + 1889 | t1027 = t865/t432/t178*t1025 + | ^ +Warning: 't178' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1237:34: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + 1237 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & + | ^ +note: 't178' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1888:30: + + 1888 | t1025 = t176**2 | ^ -note: 't365' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: +Warning: 't176' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1236:72: - 784 | t98*t1400 - | ^ -Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:24: + 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^ +note: 't176' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:594:30: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't175' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1236:52: - 594 | t601 = t27*t358 - | ^ -Warning: 't358' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:19: + 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^ +note: 't175' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1568:31: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't358' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: + 1568 | t421 = t174*t393 + | ^ +Warning: 't174' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1236:46: - 652 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't354' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:13: + 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^ +note: 't174' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1882:40: - 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't354' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: + 1882 | t993 = 0.1e1_dp/t427/t172 + | ^ +Warning: 't172' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1236:20: - 708 | t41*t328*t466 - | ^ -Warning: 't351' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:96: + 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^ +note: 't172' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1901:48: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't351' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: + 1901 | t1043 = t17**(-0.2333333333e1_dp) + | ^ +Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1235:94: - 708 | t41*t328*t466 - | ^ -Warning: 't347' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:90: + 1235 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't347' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't169' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1235:54: - 637 | REAL(t46, KIND=dp) - | ^ -Warning: 't346' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:84: + 1235 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + | ^ +note: 't169' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1559:31: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't346' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: + 1559 | t403 = t402*t168 + | ^ +Warning: 't168' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1235:48: - 708 | t41*t328*t466 - | ^ -Warning: 't343' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:78: + 1235 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + | ^ +note: 't168' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1561:31: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't343' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: + 1561 | t407 = t167*t406 + | ^ +Warning: 't167' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1234:75: - 708 | t41*t328*t466 - | ^ -Warning: 't339' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:67: + 1234 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 + | ^ +note: 't167' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1601:54: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't339' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: + 1601 | t473*t435)*t51 + | ^ +Warning: 't164' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1234:20: - 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't335' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:61: + 1234 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 + | ^ +note: 't164' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1865:62: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't335' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: + 1865 | *t394*t874 - 0.9531842928e0_dp*t161*t887 + | ^ +Warning: 't161' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1233:48: - 637 | REAL(t46, KIND=dp) - | ^ -Warning: 't330' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:55: + 1233 | t1603, t1604, t1605, t1606, t1609, t161, t1610, t1611, t1613, t1615, t1620, t1622, t1626, & + | ^ +note: 't161' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1578:31: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't330' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: + 1578 | t440 = t439*t160 + | ^ +Warning: 't160' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1232:87: - 708 | t41*t328*t466 - | ^ -Warning: 't328' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:49: + 1232 | t1570, t1576, t1578, t1580, t1582, t1588, t159, t1590, t1593, t1599, t16, t160, t1602, & + | ^ +note: 't160' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1862:49: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + 1862 | t905 = 0.1817120592e1_dp*t157*t371 | ^ -note: 't328' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: +Warning: 't157' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1231:93: - 708 | t41*t328*t466 + 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^ +note: 't157' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't156' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1231:80: + + 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^ +note: 't156' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1848:36: + + 1848 | t870 = t366*t155*t869 | ^ -Warning: 't326' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:43: +Warning: 't155' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1231:74: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^ +note: 't155' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1856:29: + + 1856 | t890 = t154**2 + | ^ +Warning: 't154' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1231:68: + + 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^ +note: 't154' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2018:32: + + 2018 | t1383 = t151*t513 + | ^ +Warning: 't151' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1231:20: + + 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^ +note: 't151' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + + 1917 | *bp*t1020*t984*t1027 | ^ -note: 't326' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: +Warning: 't150' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:91: - 652 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't325' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:37: + 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't150' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1421:30: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't325' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:694:38: + 1421 | t203 = t15*t202 + | ^ +Warning: 't15' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:85: - 694 | *t128*t323*t172 - | ^ -Warning: 't323' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:31: + 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't15' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't323' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: + 1917 | *bp*t1020*t984*t1027 + | ^ +Warning: 't149' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:66: - 652 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't321' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:25: + 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't149' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't321' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: + 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't148' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:46: - 652 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't319' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:19: + 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't148' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1919:32: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't319' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: + 1919 | t1086 = t147*t479 + | ^ +Warning: 't147' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:33: - 652 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't316' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:13: + 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't147' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1613:31: - 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + 1613 | t491 = t144*t254 + | ^ +Warning: 't144' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:13: + + 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & | ^ -note: 't316' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: +note: 't144' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1528:31: - 775 | *t36*t38*t1396 - | ^ -Warning: 't313' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:97: + 1528 | t359 = t143*t340 + | ^ +Warning: 't143' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1229:94: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't313' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: + 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^ +note: 't143' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2183:32: - 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't312' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:91: + 2183 | t1858 = t802*t142 + | ^ +Warning: 't142' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1229:88: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't312' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:457:31: + 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^ +note: 't142' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2077:32: - 457 | *t30*t281 - | ^ -Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:79: + 2077 | t1590 = t141*t704 + | ^ +Warning: 't141' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1229:82: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:716:76: + 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^ +note: 't141' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1932:32: - 716 | + t1136) - | ^ -Warning: 't304' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:74: + 1932 | t1113 = t140*t355 + | ^ +Warning: 't140' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1229:69: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't304' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:375:26: + 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^ +note: 't140' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1746:31: - 375 | t109 - | ^ -Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:68: + 1746 | t722 = t343*t137 + | ^ +Warning: 't137' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1228:82: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:460:28: + 1228 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & + | ^ +note: 't137' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: - 460 | t293 = t3*t55 - | ^ -Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:63: + 2173 | *t725*t371 + | ^ +Warning: 't136' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1228:41: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 1228 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & + | ^ +note: 't136' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1780:31: - 775 | *t36*t38*t1396 - | ^ -Warning: 't297' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:59: + 1780 | t772 = t125*t133 + | ^ +Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1227:56: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't297' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1698:31: - 775 | *t36*t38*t1396 - | ^ -Warning: 't293' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:53: + 1698 | t636 = t635*t131 + | ^ +Warning: 't131' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1227:44: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't293' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:425:38: + 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^ +note: 't131' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1844:40: - 425 | t211 = my_rho*t29*omega + 1844 | t864 = 0.1e1_dp/t370/t130 + | ^ +Warning: 't130' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1227:38: + + 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 | ^ -Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:47: +note: 't130' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1486:30: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 1486 | t306 = t13*t305 + | ^ +Warning: 't13' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1227:32: - 775 | *t36*t38*t1396 - | ^ -Warning: 't289' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:42: + 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't289' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: + 2173 | *t725*t371 + | ^ +Warning: 't129' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1227:20: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't285' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:36: + 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^ +note: 't129' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1508:56: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't285' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: + 1508 | t55 + t93 + t127)*sc + | ^ +Warning: 't127' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1226:94: - 652 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't284' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:30: + 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^ +note: 't127' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1456:31: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't284' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: + 1456 | t257 = t126*t133 + | ^ +Warning: 't126' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1226:88: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't281' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:24: + 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1780:31: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't281' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:372:30: + 1780 | t772 = t125*t133 + | ^ +Warning: 't125' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1226:68: - 372 | t105 = t28*t104 - | ^ -Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:18: + 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^ +note: 't125' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1733:62: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 1733 | *t697*t662)*t122) + | ^ +Warning: 't122' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1226:27: - 775 | *t36*t38*t1396 - | ^ -Warning: 't271' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:13: + 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^ +note: 't122' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1381:30: - 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't271' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 1381 | t141 = t140*t12 + | ^ +Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1225:74: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + 1225 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & | ^ -Warning: 't270' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:94: +note: 't12' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1481:31: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't270' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: + 1481 | t297 = t116*t277 + | ^ +Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1225:27: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't265' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:83: + 1225 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1477:31: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't265' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: + 1477 | t291 = t111*t264 + | ^ +Warning: 't111' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1223:72: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't264' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:77: + 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^ +note: 't111' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1972:41: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't264' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: + 1972 | t1299 = t110**(-0.40e1_dp) + | ^ +Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1223:52: - 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't259' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:66: + 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1526:30: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't259' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: + 1526 | t356 = t11*t355 + | ^ +Warning: 't11' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1223:46: - 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't258' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:60: + 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^ +note: 't11' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1733:62: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't258' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: + 1733 | *t697*t662)*t122) + | ^ +Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1223:20: - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't255' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:54: + 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1706:40: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't255' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: + 1706 | t656 = 0.1e1_dp/t654/t101 + | ^ +Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1221:90: - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't254' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:48: + 1221 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1376:29: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't254' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: + 1376 | t132 = t1*t131 + | ^ +Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1221:78: - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't251' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:42: + 1221 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1023:48: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't251' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + 1023 | t540 = 0.1817120592e1_dp*t98*t221 + | ^ +Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:685:62: - 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't250' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:36: + 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't250' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:685:57: - 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't245' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:30: + 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:884:30: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + 884 | t291 = t124*t96 | ^ -note: 't245' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't244' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:24: +Warning: 't96' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:685:46: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't244' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: + 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^ +note: 't96' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1017:28: - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't241' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:18: + 1017 | t525 = t95**2 + | ^ +Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:685:23: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't241' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: + 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:924:30: - 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't24' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:12: + 924 | t357 = t92*t165 + | ^ +Warning: 't92' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:685:12: - 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p | ^ -note: 't24' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: +note: 't92' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:870:30: - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't237' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:97: + 870 | t261 = t260*t91 + | ^ +Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:97: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & | ^ -note: 't237' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't233' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:91: - - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't233' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: +note: 't91' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1005:39: - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't232' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:85: + 1005 | t499 = 0.1e1_dp/t220/t90 + | ^ +Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:92: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't232' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't230' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:73: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't89' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:87: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't230' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:371:34: + 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:923:30: - 371 | t104 = 0.1e1_dp/t23 - | ^ -Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:67: + 923 | t356 = t88*t160 + | ^ +Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:82: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: + 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:836:75: - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't226' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:62: + 836 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc + | ^ +Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:53: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't226' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:799:30: - 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't225' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:56: + 799 | t155 = t154*t85 + | ^ +Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:36: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't225' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: + 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:972:67: - 673 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't222' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:50: + 972 | *t443*t408)*t80) - t332 + | ^ +Warning: 't80' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:683:44: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't222' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:599:30: + 683 | REAL(KIND=dp) :: t792, t793, t798, t80, t800, t804, t807, t808, t810, t814, t820, t823, & + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:822:30: - 599 | t628 = t221*t76 + 822 | t193 = t74*t173 | ^ -Warning: 't221' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:44: +Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:682:18: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't221' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:350:37: + 682 | t732, t74, t743, t745, t748, t752, t755, t758, t769, t78 + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:818:30: - 350 | t68 = my_rho*t22*omega - | ^ -Warning: 't22' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:38: + 818 | t187 = t69*t160 + | ^ +Warning: 't69' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:681:28: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't22' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:613:63: + 681 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & + | ^ +note: 't69' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1090:39: - 613 | /t69*t669) - | ^ -Warning: 't219' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:33: + 1090 | t769 = t68**(-0.40e1_dp) + | ^ +Warning: 't68' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:681:23: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't219' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: + 681 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & + | ^ +note: 't68' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:972:67: - 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + 972 | *t443*t408)*t80) - t332 | ^ -Warning: 't216' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:27: +Warning: 't67' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:681:18: - 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't216' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: + 681 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & + | ^ +note: 't67' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:945:39: - 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't213' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:70: + 945 | t402 = 0.1e1_dp/t400/t59 + | ^ +Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:680:47: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't213' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: + 680 | t567, t570, t573, t58, t583, t589, t59, t595, t596, t6, t601, t603, t613, t62, t625, t64, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:800:29: - 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't212' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:64: + 800 | t156 = t88*t55 + | ^ +Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:679:77: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't212' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: + 679 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:826:26: - 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't211' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:58: + 826 | t144 + | ^ +Warning: 't54' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:679:54: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't211' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:463:30: + 679 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:827:30: - 463 | t311 = t126*t21 + 827 | t203 = t51*t202 | ^ -Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:52: +Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:678:70: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + 678 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:764:27: - 784 | t98*t1400 - | ^ -Warning: 't207' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:47: + 764 | t97 = t5*t96 + | ^ +Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:678:29: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't207' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:494:30: + 678 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: - 494 | t365 = t27*t200 - | ^ -Warning: 't200' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:41: + 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc + | ^ +Warning: 't490' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:95: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't200' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:577:29: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't490' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - 577 | t576 = t2*t501 - | ^ -Warning: 't2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:35: + 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't489' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:84: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:544:70: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't489' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1167:32: - 544 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't196' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:31: + 1167 | t1019 = t488*t202 + | ^ +Warning: 't488' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:78: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't196' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't488' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - 708 | t41*t328*t466 - | ^ -Warning: 't190' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:25: + 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't485' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:72: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't190' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't485' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't186' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:19: + 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't482' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:66: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't186' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't482' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1083:47: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't185' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:13: + 1083 | t732 = t48**(-0.1666666667e1_dp) + | ^ +Warning: 't48' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:60: - 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't185' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:407:59: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - 407 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 - | ^ -Warning: 't18' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:96: + 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't479' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:55: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't479' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't177' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:91: + 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't475' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:49: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't177' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:549:69: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't475' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - 549 | *t24*t98*t496)*sx - | ^ -Warning: 't173' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:79: + 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't472' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:43: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't173' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:586:35: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't472' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1158:35: - 586 | *t36*t38*t586 + 1158 | t990 = 0.2e1_dp*t471 | ^ -Warning: 't172' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:73: +Warning: 't471' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:37: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't172' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:353:28: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't471' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1156:40: - 353 | t72 = t71*t17 - | ^ -Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:67: + 1156 | t984 = 0.2e1_dp*t470*t202 + | ^ +Warning: 't470' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:31: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:562:41: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't470' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: - 562 | - 0.20e1_dp*t6*t526 - | ^ -Warning: 't169' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:62: + 1176 | + t489)*sc + | ^ +Warning: 't467' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:25: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't169' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:497:31: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't467' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: - 497 | t377 = t225*t168 - | ^ -Warning: 't168' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:56: + 1176 | + t489)*sc + | ^ +Warning: 't464' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:19: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't168' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:434:38: + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't464' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: - 434 | t230 = 0.1e1_dp/t75/t16 - | ^ -Warning: 't16' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:50: + 1176 | + t489)*sc + | ^ +Warning: 't461' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:13: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't461' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: + + 1176 | + t489)*sc | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:424:30: +Warning: 't458' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:91: - 424 | t207 = t27*t155 - | ^ -Warning: 't155' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:38: + 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't458' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1147:35: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:488:68: + 1147 | t956 = 0.3e1_dp*t452 + | ^ +Warning: 't452' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:73: - 488 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 - | ^ -Warning: 't151' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:32: + 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't452' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1157:31: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't151' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:539:82: + 1157 | t986 = t212*t451 + | ^ +Warning: 't451' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:67: - 539 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 - | ^ -Warning: 't148' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:26: + 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't451' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1080:47: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't148' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: + 1080 | t721 = t45**(-0.1666666667e1_dp) + | ^ +Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:61: - 708 | t41*t328*t466 - | ^ -Warning: 't147' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:13: + 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't147' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't443' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:56: - 708 | t41*t328*t466 - | ^ -Warning: 't146' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:87: + 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't443' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & - | ^ -note: 't146' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:539:82: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't442' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:50: - 539 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 - | ^ -Warning: 't143' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:67: + 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't442' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & - | ^ -note: 't143' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:476:35: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't437' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:39: - 476 | t343 = t141*t135*t46 - | ^ -Warning: 't141' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:54: + 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't437' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & - | ^ -note: 't141' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't434' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:33: - 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't140' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:27: + 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't434' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't433' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:27: + + 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ -note: 't140' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: +note: 't433' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:794:29: - 637 | REAL(t46, KIND=dp) - | ^ -Warning: 't137' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:96: + 794 | t146 = t43*t91 + | ^ +Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:71: - 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't137' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: + 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't136' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:90: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't429' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:66: - 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:535:30: + 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't429' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 535 | t489 = t41*t135 - | ^ -Warning: 't135' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:84: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't428' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:60: - 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't135' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:450:69: + 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't428' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 450 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 - | ^ -Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:57: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't427' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:54: - 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:745:57: + 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't427' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 745 | + 0.5999999999e1_dp*t128*t132*t529 - | ^ -Warning: 't132' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:51: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't425' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:48: - 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't425' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: + + 1128 | - 0.1588640487e1_dp*t437*t860 | ^ -note: 't132' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:450:69: +Warning: 't424' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:42: - 450 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 - | ^ -Warning: 't130' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:45: + 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't424' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1114:39: - 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't130' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:468:35: + 1114 | *t841 - t187*t851 + | ^ +Warning: 't420' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:36: - 468 | t321 = t128*t43*t258 - | ^ -Warning: 't128' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:32: + 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't420' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:836:75: - 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't128' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:530:30: + 836 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc + | ^ +Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:30: - 530 | t473 = t94*t127 + 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ -Warning: 't127' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:26: +note: 't42' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1114:39: - 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't127' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:463:30: + 1114 | *t841 - t187*t851 + | ^ +Warning: 't413' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:25: - 463 | t311 = t126*t21 - | ^ -Warning: 't126' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:20: + 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't413' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1114:39: - 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:544:70: + 1114 | *t841 - t187*t851 + | ^ +Warning: 't412' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:19: - 544 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't122' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:92: + 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't412' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1089:31: - 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & - | ^ -note: 't122' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:405:67: + 1089 | t758 = t509*t407 + | ^ +Warning: 't407' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:95: - 405 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 - | ^ -Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:86: + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't407' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1094:41: - 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:488:68: + 1094 | t800 = t500/t405/t178*t798 + | ^ +Warning: 't405' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:89: - 488 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 - | ^ -Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:81: + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't405' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 1144 | *t389*t573*t748 + | ^ +Warning: 't404' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:83: - 775 | *t36*t38*t1396 + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't404' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: + + 1144 | *t389*t573*t748 | ^ -Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:68: +Warning: 't403' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:77: - 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't403' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1116:35: - 784 | t98*t1400 - | ^ -Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:48: + 1116 | t863 = 0.1e1_dp/t400 + | ^ +Warning: 't400' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:65: - 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't400' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1039:46: - 775 | *t36*t38*t1396 + 1039 | t613 = t4**(-0.2333333333e1_dp) + | ^ +Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:59: + + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: + + 1144 | *t389*t573*t748 | ^ -Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:96: +Warning: 't394' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:49: - 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't394' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 687 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't112' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:90: + 1144 | *t389*t573*t748 + | ^ +Warning: 't390' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:37: - 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't390' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't11' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:77: + 1144 | *t389*t573*t748 + | ^ +Warning: 't389' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:31: - 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:515:66: + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't389' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 515 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172 - | ^ -Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:65: + 1144 | *t389*t573*t748 + | ^ +Warning: 't382' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:19: - 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:586:35: + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't382' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 586 | *t36*t38*t586 - | ^ -Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:52: + 1144 | *t389*t573*t748 + | ^ +Warning: 't381' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:13: - 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:595:39: + 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't381' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 595 | t605 = my_rho*t104*omega - | ^ -Warning: 't104' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:39: + 1144 | *t389*t573*t748 + | ^ +Warning: 't380' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:95: - 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:586:35: + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't380' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:908:60: - 586 | *t36*t38*t586 - | ^ -Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:33: + 908 | *t325*t287)*t38) + | ^ +Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:89: - 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:405:67: + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't38' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 405 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 - | ^ -Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:266:83: + 1144 | *t389*t573*t748 + | ^ +Warning: 't377' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:84: - 266 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:417:69: + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't377' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 417 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 - | ^ -Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:266:78: + 1144 | *t389*t573*t748 + | ^ +Warning: 't376' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:78: - 266 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbecke88_long_range.mod' due to: xc_xbecke88_long_range.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod cp_array_utils.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_vwn.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_input_constants.mod base_hooks.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F xc_vwn.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_vwn.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1476:30: - - 1476 | t288 = t287*t97 - | ^ -Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1272:35: +note: 't376' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 1272 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1484:72: + 1144 | *t389*t573*t748 + | ^ +Warning: 't373' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:72: - 1484 | t109*(t295*t96 + 0.3177280975e0_dp*t298*t284)*t122 + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ -Warning: 't96' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1272:30: - - 1272 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p - | ^ -note: 't96' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1508:56: +note: 't373' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1107:62: - 1508 | t55 + t93 + t127)*sc - | ^ -Warning: 't93' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1271:85: + 1107 | *t368*t509 - 0.9531842928e0_dp*t162*t522 + | ^ +Warning: 't368' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:66: - 1271 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1424:30: + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't368' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1099:30: - 1424 | t206 = t144*t92 + 1099 | t814 = t92*t365 | ^ -Warning: 't92' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1271:80: +Warning: 't365' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:60: - 1271 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & - | ^ -note: 't92' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1765:30: + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't365' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 1765 | t752 = t90*t751 - | ^ -Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1271:40: + 1144 | *t389*t573*t748 + | ^ +Warning: 't364' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:54: - 1271 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1769:29: + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't364' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 1769 | t757 = t89*t91 - | ^ -Warning: 't89' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1270:92: + 1144 | *t389*t573*t748 + | ^ +Warning: 't363' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:48: - 1270 | REAL(KIND=dp) :: t865, t866, t869, t870, t873, t874, t875, t878, t881, t884, t887, t89, & - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1666:64: + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't363' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 1666 | *t583*t548)*t86)*t91 - | ^ -Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1269:59: + 1144 | *t389*t573*t748 + | ^ +Warning: 't357' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:37: - 1269 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2165:60: + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't357' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't834' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1269:19: + 1144 | *t389*t573*t748 + | ^ +Warning: 't356' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:31: - 1269 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't356' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1098:31: + + 1098 | t810 = t353*t509 + | ^ +Warning: 't353' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:19: + + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ -note: 't834' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: +note: 't353' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't833' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1269:13: + 1176 | + t489)*sc + | ^ +Warning: 't352' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:13: - 1269 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ -note: 't833' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2243:80: +note: 't352' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: - 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't832' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:97: + 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc + | ^ +Warning: 't351' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:96: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't832' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't351' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: - 2099 | + t842 - t1609 - | ^ -Warning: 't831' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:91: + 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc + | ^ +Warning: 't350' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:90: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't831' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2165:60: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't350' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1084:31: - 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't830' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:85: + 1084 | t743 = t349*t202 + | ^ +Warning: 't349' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:84: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't830' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't349' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't829' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:79: + 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc + | ^ +Warning: 't346' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:78: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't829' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2243:80: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't346' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1153:89: - 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't828' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:73: + 1153 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc + | ^ +Warning: 't343' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:72: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't828' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't343' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - 2099 | + t842 - t1609 - | ^ -Warning: 't827' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:67: + 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't342' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:66: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't827' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2165:60: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't342' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: - 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't826' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:61: + 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc + | ^ +Warning: 't339' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:60: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't826' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't339' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't825' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:55: + 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc + | ^ +Warning: 't337' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:54: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't825' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't337' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1153:89: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't824' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:49: + 1153 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc + | ^ +Warning: 't334' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:48: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't824' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't334' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - 2099 | + t842 - t1609 - | ^ -Warning: 't823' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:43: + 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't333' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:42: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't823' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't333' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1146:35: - 2215 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't822' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:37: + 1146 | t953 = 0.3e1_dp*t332 + | ^ +Warning: 't332' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:36: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't822' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't332' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't821' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:31: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't325' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:30: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't821' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't325' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 2215 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't820' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:25: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't324' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:24: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't820' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't324' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:789:30: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't819' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:19: + 789 | t136 = t32*t114 + | ^ +Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:18: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't819' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 2099 | + t842 - t1609 - | ^ -Warning: 't818' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1268:13: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't319' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:13: - 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ -note: 't818' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: +note: 't319' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 2215 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't817' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:94: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't316' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:94: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -note: 't817' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: +note: 't316' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't816' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:88: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't315' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:88: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -note: 't816' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: +note: 't315' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't815' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:82: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't311' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:82: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -note: 't815' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2175:32: +note: 't311' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 2175 | t1832 = t814*t254 - | ^ -Warning: 't814' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:76: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't310' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:76: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -note: 't814' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: +note: 't310' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 2099 | + t842 - t1609 - | ^ -Warning: 't813' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:70: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't309' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:70: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -note: 't813' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: +note: 't309' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't812' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:64: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't307' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:64: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -note: 't812' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2177:32: +note: 't307' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 2177 | t1838 = t811*t202 - | ^ -Warning: 't811' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:58: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't306' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:58: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -note: 't811' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2193:32: +note: 't306' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1051:39: - 2193 | t1891 = t808*t254 - | ^ -Warning: 't808' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:52: + 1051 | *t531 - t130*t549 + | ^ +Warning: 't302' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:52: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -note: 't808' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2181:32: +note: 't302' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:831:32: - 2181 | t1850 = t806*t254 + 831 | t206 = -t3 - t146 | ^ -Warning: 't806' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:46: +Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:46: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -note: 't806' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2189:32: - - 2189 | t1870 = t804*t254 - | ^ -Warning: 't804' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:40: +note: 't3' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't804' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2194:32: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't299' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:42: - 2194 | t1893 = t803*t305 - | ^ -Warning: 't803' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:34: + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't299' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't803' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2183:32: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't296' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:36: - 2183 | t1858 = t802*t142 - | ^ -Warning: 't802' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:28: + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't296' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1043:31: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't802' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1448:30: + 1043 | t693 = t295*t508 + | ^ +Warning: 't295' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:30: - 1448 | t245 = t80*t225 + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -Warning: 't80' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:22: +note: 't295' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1051:39: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1924:47: + 1051 | *t531 - t130*t549 + | ^ +Warning: 't292' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:24: - 1924 | t1099 = t8**(-0.1666666667e1_dp) - | ^ -Warning: 't8' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:17: + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't292' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1051:39: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2225:34: + 1051 | *t531 - t130*t549 + | ^ +Warning: 't291' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:18: - 2225 | *t136*t1986 - | ^ -Warning: 't799' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1267:13: + 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't291' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1034:31: - 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't799' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2225:34: + 1034 | t589 = t509*t286 + | ^ +Warning: 't286' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:90: - 2225 | *t136*t1986 - | ^ -Warning: 't796' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:97: + 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't286' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1038:41: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't796' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2243:80: + 1038 | t603 = t500/t284/t119*t601 + | ^ +Warning: 't284' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:84: - 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't793' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:91: + 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't284' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't793' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2219:33: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't283' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:78: - 2219 | t1975 = t1697*t789 - | ^ -Warning: 't789' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:85: + 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't283' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't789' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't282' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:72: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't784' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:73: + 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't282' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1035:29: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't784' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2176:32: + 1035 | t595 = t279**2 + | ^ +Warning: 't279' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:60: - 2176 | t1836 = t732*t783 - | ^ -Warning: 't783' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:67: + 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't279' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't783' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't273' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:48: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't782' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:61: + 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't273' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:785:29: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't782' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2154:38: + 785 | t130 = t27*t96 + | ^ +Warning: 't27' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:36: - 2154 | t1783 = 0.160e2_dp*t780 - | ^ -Warning: 't780' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:55: + 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't780' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2212:29: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't269' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:31: - 2212 | *t1776 - | ^ -Warning: 't779' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:49: + 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't269' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't779' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2212:29: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't268' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:25: - 2212 | *t1776 - | ^ -Warning: 't778' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:43: + 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't268' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't778' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2212:29: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't261' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:13: - 2212 | *t1776 - | ^ -Warning: 't777' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:37: + 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't261' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't777' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2155:39: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't260' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:97: - 2155 | t1785 = 0.2400e2_dp*t774 + 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't260' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1041:39: + + 1041 | t665 = t26**(-0.40e1_dp) | ^ -Warning: 't774' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:31: +Warning: 't26' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:91: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't774' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2202:58: + 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't773' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:25: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't259' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:86: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't773' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2202:58: + 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't259' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't772' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:19: + 1144 | *t389*t573*t748 + | ^ +Warning: 't258' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:80: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't772' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2152:64: + 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't258' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 2152 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 - | ^ -Warning: 't771' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1266:13: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't255' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:74: - 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't771' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2156:37: + 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't255' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 2156 | t1786 = 0.80e1_dp*t769 - | ^ -Warning: 't769' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:91: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't254' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:68: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't769' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2100:37: + 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't254' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 2100 | t1611 = 0.80e1_dp*t767 - | ^ -Warning: 't767' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:85: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't251' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:62: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't767' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2092:36: + 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't251' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1026:62: - 2092 | t1603 = 0.2e1_dp*t766 - | ^ -Warning: 't766' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:79: + 1026 | *t246*t509 - 0.9531842928e0_dp*t102*t522 + | ^ +Warning: 't246' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:51: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't766' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: + 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't246' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1114:39: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't764' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:73: + 1114 | *t841 - t187*t851 + | ^ +Warning: 't245' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:45: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't764' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: + 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't245' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't762' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:61: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't241' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:27: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't241' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1022:49: + + 1022 | t538 = 0.1211413728e1_dp*t240*t508 + | ^ +Warning: 't240' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:72: + + 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't240' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:908:60: + + 908 | *t325*t287)*t38) + | ^ +Warning: 't24' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:66: + + 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't24' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1013:30: + + 1013 | t513 = t92*t237 + | ^ +Warning: 't237' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:61: + + 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ -note: 't762' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2096:38: +note: 't237' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 2096 | t1609 = 0.160e2_dp*t759 - | ^ -Warning: 't759' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:55: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't236' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:55: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ -note: 't759' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2202:58: +note: 't236' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't758' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:49: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't235' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:49: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ -note: 't758' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2188:64: +note: 't235' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1100:31: - 2188 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 - | ^ -Warning: 't757' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:43: + 1100 | t820 = t231*t165 + | ^ +Warning: 't231' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:43: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ -note: 't757' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2138:52: +note: 't231' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: - 2138 | t1730 = 0.160e2_dp*t755*t756*t252*t91 - | ^ -Warning: 't756' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:37: + 1176 | + t489)*sc + | ^ +Warning: 't230' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:37: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ -note: 't756' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2188:64: +note: 't230' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 2188 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 - | ^ -Warning: 't755' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:31: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't226' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:31: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ -note: 't755' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2091:39: +note: 't226' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 2091 | t1602 = 0.2400e2_dp*t753 - | ^ -Warning: 't753' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:25: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't225' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:25: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ -note: 't753' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2212:29: - - 2212 | *t1776 - | ^ -Warning: 't752' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:19: - - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't752' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2146:49: +note: 't225' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1096:31: - 2146 | t1768 = 0.2400e2_dp*t750*t253*t751 - | ^ -Warning: 't751' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1265:13: + 1096 | t807 = t222*t165 + | ^ +Warning: 't222' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:13: - 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ -note: 't751' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2202:58: +note: 't222' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: - 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't750' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:94: + 1176 | + t489)*sc + | ^ +Warning: 't221' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:94: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ -note: 't750' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1444:30: +note: 't221' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1005:39: - 1444 | t239 = t75*t212 - | ^ -Warning: 't75' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:88: + 1005 | t499 = 0.1e1_dp/t220/t90 + | ^ +Warning: 't220' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:88: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ -note: 't75' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2095:37: +note: 't220' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1012:31: - 2095 | t1606 = 0.80e1_dp*t748 - | ^ -Warning: 't748' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:83: + 1012 | t510 = t217*t509 + | ^ +Warning: 't217' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:70: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't748' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2093:37: + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't217' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1009:35: - 2093 | t1604 = 0.80e1_dp*t746 - | ^ -Warning: 't746' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:77: + 1009 | t505 = t216*t96*t504 + | ^ +Warning: 't216' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:64: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't746' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2094:36: + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't216' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:999:102: - 2094 | t1605 = 0.2e1_dp*t745 - | ^ -Warning: 't745' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:71: + 999 | e_bb(ip) = e_bb(ip) + ((t332 + t489 + t490 + t452)*t2 + t455 + 0.2e1_dp*t213 + t457)*sc + | ^ +Warning: 't213' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:58: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't745' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2143:41: + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't213' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1157:31: - 2143 | t1754 = 0.2e1_dp*t744*t254 - | ^ -Warning: 't744' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:65: + 1157 | t986 = t212*t451 + | ^ +Warning: 't212' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:52: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't744' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2249:111: + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't212' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - 2249 | t2048)*t2)*sc - | ^ -Warning: 't743' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:59: + 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't209' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:41: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't743' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2153:36: + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't209' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - 2153 | t1782 = 0.2e1_dp*t742 - | ^ -Warning: 't742' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:53: + 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't206' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:35: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't742' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2144:41: + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't206' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:975:35: - 2144 | t1764 = 0.2e1_dp*t741*t202 - | ^ -Warning: 't741' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:47: + 975 | t457 = 0.2e1_dp*t203 + | ^ +Warning: 't203' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:29: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't741' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2032:40: + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't203' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1156:40: - 2032 | t1469 = t74**(-0.40e1_dp) + 1156 | t984 = 0.2e1_dp*t470*t202 | ^ -Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:41: +Warning: 't202' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:23: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2207:29: + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't202' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:836:75: - 2207 | *t1094 - | ^ -Warning: 't735' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:36: + 836 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc + | ^ +Warning: 't2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:17: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't735' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2103:42: + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't2' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 2103 | t1620 = 0.80e1_dp*t733*t254 - | ^ -Warning: 't733' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:30: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't194' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:13: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't733' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2243:80: + 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't194' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:963:31: - 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't732' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:24: + 963 | t437 = t193*t245 + | ^ +Warning: 't193' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:96: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't732' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2118:42: + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't193' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - 2118 | t1666 = 0.80e1_dp*t730*t254 - | ^ -Warning: 't730' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:18: + 1128 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't191' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:90: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't730' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1666:64: + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't191' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:957:31: - 1666 | *t583*t548)*t86)*t91 - | ^ -Warning: 't73' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1264:12: + 957 | t425 = t424*t190 + | ^ +Warning: 't190' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:84: - 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't73' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2147:41: + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't190' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:959:31: - 2147 | t1775 = 0.2e1_dp*t729*t305 + 959 | t428 = t189*t427 + | ^ +Warning: 't189' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:73: + + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't189' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:956:43: + + 956 | t420*t365 - t187*t373 + | ^ +Warning: 't187' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:67: + + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't187' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1114:39: + + 1114 | *t841 - t187*t851 + | ^ +Warning: 't184' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:61: + + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't184' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:943:31: + + 943 | t397 = t231*t179 + | ^ +Warning: 't179' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:43: + + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't179' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1094:41: + + 1094 | t800 = t500/t405/t178*t798 | ^ -Warning: 't729' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:93: +Warning: 't178' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:37: - 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't729' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2120:32: + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't178' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1093:29: - 2120 | t1671 = t728*t142 - | ^ -Warning: 't728' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:87: + 1093 | t798 = t176**2 + | ^ +Warning: 't176' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:31: - 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't728' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't176' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 2173 | *t725*t371 - | ^ -Warning: 't725' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:81: + 1144 | *t389*t573*t748 + | ^ +Warning: 't175' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:25: - 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't725' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't175' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:942:31: - 2173 | *t725*t371 - | ^ -Warning: 't722' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:75: + 942 | t394 = t174*t245 + | ^ +Warning: 't174' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:19: - 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't722' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: + 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't174' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1117:40: - 2173 | *t725*t371 - | ^ -Warning: 't719' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:69: + 1117 | t872 = 0.1e1_dp/t400/t172 + | ^ +Warning: 't172' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:95: - 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't719' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^ +note: 't172' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 2173 | *t725*t371 - | ^ -Warning: 't716' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:63: + 1144 | *t389*t573*t748 + | ^ +Warning: 't169' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:89: - 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't716' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1841:35: + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^ +note: 't169' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:935:31: - 1841 | t857 = 0.3e1_dp*t705 - | ^ -Warning: 't705' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:33: + 935 | t380 = t168*t258 + | ^ +Warning: 't168' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:83: - 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't705' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2129:32: + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^ +note: 't168' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:972:67: - 2129 | t1696 = t316*t704 - | ^ -Warning: 't704' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1263:27: + 972 | *t443*t408)*t80) - t332 + | ^ +Warning: 't165' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:77: - 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't704' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^ +note: 't165' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1107:62: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + 1107 | *t368*t509 - 0.9531842928e0_dp*t162*t522 + | ^ +Warning: 't162' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:71: + + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -Warning: 't697' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:66: +note: 't162' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't697' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: + 1144 | *t389*t573*t748 + | ^ +Warning: 't161' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:65: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't696' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:60: + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^ +note: 't161' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:923:30: - 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't696' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: + 923 | t356 = t88*t160 + | ^ +Warning: 't160' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:59: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't691' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:54: + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^ +note: 't160' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:878:39: - 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't691' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: + 878 | t281 = 0.1e1_dp/t279/t16 + | ^ +Warning: 't16' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:53: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't688' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:48: + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1102:29: - 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + 1102 | t835 = t159**2 + | ^ +Warning: 't159' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:48: + + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't688' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: +note: 't159' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't687' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:42: + 1144 | *t389*t573*t748 + | ^ +Warning: 't156' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:42: - 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't687' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: +note: 't156' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:989:48: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't683' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:36: + 989 | + t213)*sc + | ^ +Warning: 't155' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:36: - 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't683' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: +note: 't155' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1085:31: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't682' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:30: + 1085 | t745 = t154*t451 + | ^ +Warning: 't154' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:30: - 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't682' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: +note: 't154' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:981:31: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't681' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:24: + 981 | t464 = t342*t151 + | ^ +Warning: 't151' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:24: - 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't681' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: +note: 't151' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:982:30: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't679' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1262:13: + 982 | t467 = t150*t43 + | ^ +Warning: 't150' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:18: - 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't679' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: + 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^ +note: 't150' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:979:31: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't678' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:96: + 979 | t458 = t333*t147 + | ^ +Warning: 't147' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:96: - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ -note: 't678' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1971:47: - - 1971 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't674' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:90: - - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't674' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1971:47: +note: 't147' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:980:30: - 1971 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't667' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:84: + 980 | t461 = t145*t43 + | ^ +Warning: 't145' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:84: - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ -note: 't667' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1971:47: +note: 't145' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:974:35: - 1971 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't666' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:78: + 974 | t455 = 0.2e1_dp*t144 + | ^ +Warning: 't144' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:78: - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ -note: 't666' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1960:32: - - 1960 | t1238 = t874*t661 - | ^ -Warning: 't661' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:66: +note: 't144' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't661' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1964:43: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't137' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:67: - 1964 | t1252 = t865/t659/t282*t1250 - | ^ -Warning: 't659' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:60: + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't137' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:899:31: - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't659' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 899 | t319 = t136*t245 + | ^ +Warning: 't136' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:61: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ -Warning: 't658' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:54: +note: 't136' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't658' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 1062 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't134' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:55: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't657' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:48: + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't134' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:893:31: - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't657' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1961:30: + 893 | t307 = t306*t133 + | ^ +Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:49: - 1961 | t1244 = t654**2 - | ^ -Warning: 't654' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:36: + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:895:31: - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't654' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1639:39: + 895 | t310 = t132*t309 + | ^ +Warning: 't132' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:43: - 1639 | t542 = 0.1e1_dp/t540/t65 - | ^ -Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:24: + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't132' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:892:43: - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 892 | t302*t237 - t130*t251 + | ^ +Warning: 't130' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:37: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't648' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1261:19: + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't130' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:972:67: - 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + 972 | *t443*t408)*t80) - t332 + | ^ +Warning: 't127' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:31: + + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't127' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:888:31: + + 888 | t299 = t126*t230 + | ^ +Warning: 't126' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:25: + + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1051:39: + + 1051 | *t531 - t130*t549 + | ^ +Warning: 't125' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:19: + + 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ -note: 't648' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: +note: 't125' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:876:31: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't644' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:96: + 876 | t276 = t231*t120 + | ^ +Warning: 't120' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:91: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't644' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't120' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1038:41: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't643' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:90: + 1038 | t603 = t500/t284/t119*t601 + | ^ +Warning: 't119' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:85: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't643' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1037:29: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't636' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:73: + 1037 | t601 = t117**2 + | ^ +Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:79: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't636' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't635' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:67: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:73: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't635' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:875:31: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't634' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:61: + 875 | t273 = t115*t245 + | ^ +Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:67: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't634' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1028:40: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't631' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:55: + 1028 | t563 = 0.1e1_dp/t279/t113 + | ^ +Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:55: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ -note: 't631' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: +note: 't113' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't630' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:49: + 1078 | *bp*t625*t565*t559 + | ^ +Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:49: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ -note: 't630' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: +note: 't110' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:758:28: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't627' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:43: + 758 | t89 = t88*t11 + | ^ +Warning: 't11' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:43: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ -note: 't627' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1953:63: - - 1953 | *t622*t874 - 0.9531842928e0_dp*t266*t887 - | ^ -Warning: 't622' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:37: +note: 't11' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:866:31: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't622' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1950:32: + 866 | t255 = t254*t109 + | ^ +Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:38: - 1950 | t1168 = t619*t269 - | ^ -Warning: 't619' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:31: + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:868:31: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + 868 | t259 = t108*t258 | ^ -note: 't619' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't618' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:25: +Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:32: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't618' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:908:60: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't617' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:19: + 908 | *t325*t287)*t38) + | ^ +Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:26: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't617' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1026:62: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't611' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1260:13: + 1026 | *t246*t509 - 0.9531842928e0_dp*t102*t522 + | ^ +Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:13: - 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ -note: 't611' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: +note: 't102' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:885:31: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't610' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:93: + 885 | t292 = t291*t101 + | ^ +Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:662:85: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't610' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1426:30: + 662 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:792:82: - 1426 | t208 = t149*t61 - | ^ -Warning: 't61' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:87: + 792 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38) + | ^ +Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:662:73: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't61' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1944:32: + 662 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_vwn.mod' due to: xc_vwn.o /build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod xc_input_constants.mod base_hooks.mod bibliography.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_hcth.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_hcth.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_hcth.F xc_hcth.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_hcth.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_hcth.mod' due to: xc_hcth.o /build/reproducible-path/cp2k-8.1/src/xc/xc_hcth.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_lyp.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp.F xc_lyp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_lyp.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_lyp.mod' due to: xc_lyp.o /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_ke_gga.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_ke_gga.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod xc_input_constants.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_ke_gga.F xc_ke_gga.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_ke_gga.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_ke_gga.mod' due to: xc_ke_gga.o /build/reproducible-path/cp2k-8.1/src/xc/xc_ke_gga.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod xc_input_constants.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_pade.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_pade.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod bibliography.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_pade.F xc_pade.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_pade.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_pade.mod' due to: xc_pade.o /build/reproducible-path/cp2k-8.1/src/xc/xc_pade.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod bibliography.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbecke88_long_range.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbecke88_long_range.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: - 1944 | t1151 = t607*t874 - | ^ -Warning: 't607' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:76: + 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:72: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't607' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: + 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1261:104: - 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't606' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:70: + 1261 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx + | ^ +Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:61: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1313:70: + + 1313 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 | ^ -note: 't606' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: +Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:56: - 2089 | t1599)*t2)*sc - | ^ -Warning: 't605' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:64: + 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1276:72: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't605' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2137:80: + 1276 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + | ^ +Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:45: - 2137 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 - | ^ -Warning: 't604' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:58: + 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1202:30: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't604' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: + 1202 | t226 = t225*t90 + | ^ +Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:40: - 2215 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't603' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:52: + 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1273:55: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't603' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: + 1273 | t87 + 0.8000000000e1_dp*t393*t397 + | ^ +Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:29: - 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't602' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:46: + 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1328:66: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't602' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2102:42: + 1328 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 + | ^ +Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:12: - 2102 | t1615 = 0.80e1_dp*t732*t601 - | ^ -Warning: 't601' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:40: + 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1375:39: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't601' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: + 1375 | t669 = 0.1e1_dp/t85/t667 + | ^ +Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:89: - 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't600' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:34: + 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1374:28: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't600' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1451:70: + 1374 | t667 = t84**2 + | ^ +Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:72: - 1451 | t73*(t243*t60 + 0.3177280975e0_dp*t246*t232)*t86 - | ^ -Warning: 't60' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:28: + 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1159:28: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + 1159 | t140 = t8*rho | ^ -note: 't60' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: +Warning: 't8' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:61: - 2089 | t1599)*t2)*sc - | ^ -Warning: 't599' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:19: + 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1393:67: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't599' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2137:80: + 1393 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 + | ^ +Warning: 't79' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:45: - 2137 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 - | ^ -Warning: 't598' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1259:13: + 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't79' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1215:30: - 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't598' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: + 1215 | t255 = t77*t254 + | ^ +Warning: 't77' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:40: - 2215 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't597' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:96: + 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't77' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't597' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: + 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't76' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:29: - 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't596' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:90: + 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1370:28: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't596' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: + 1370 | t639 = t75**2 + | ^ +Warning: 't75' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:24: - 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't595' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:84: + 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't75' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1276:72: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + 1276 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + | ^ +Warning: 't72' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:84: + + 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & | ^ -note: 't595' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: +note: 't72' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 2089 | t1599)*t2)*sc - | ^ -Warning: 't594' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:78: + 1442 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't71' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:73: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't594' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: + 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't71' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1120:27: - 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't593' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:72: + 1120 | t69 = t7*rho + | ^ +Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:68: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't593' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1840:35: + 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1382:63: - 1840 | t851 = 0.3e1_dp*t592 - | ^ -Warning: 't592' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:66: + 1382 | /t69*t669) + | ^ +Warning: 't69' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:64: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't592' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2148:32: + 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't69' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - 2148 | t1776 = t317*t591 - | ^ -Warning: 't591' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:60: + 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't68' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:53: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't591' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: + 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't68' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't583' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:54: + 1553 | t98*t1400 + | ^ +Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:12: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't583' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: + 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1172:84: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't582' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:48: + 1172 | 0.2222222224e0_dp*t24*t98*t155)*sx + | ^ +Warning: 't60' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:45: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't582' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: + 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^ +note: 't60' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't577' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:42: + 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:40: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't577' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: + 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1498:31: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't574' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:36: + 1498 | t1153 = t27*t590 + | ^ +Warning: 't590' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:36: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ -note: 't574' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: +note: 't590' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't573' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:30: + 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:30: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ -note: 't573' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1454:30: +note: 't59' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1454 | t255 = t57*t254 - | ^ -Warning: 't57' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:24: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't586' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:25: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't57' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: + 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^ +note: 't586' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't569' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:19: + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't580' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:19: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ -note: 't569' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: +note: 't580' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't568' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1258:13: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't576' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:13: - 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ -note: 't568' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: +note: 't576' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't567' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:95: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't575' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:96: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't567' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't575' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't565' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:89: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't574' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:90: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't565' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't574' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't564' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:83: + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't573' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:84: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't564' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2031:47: + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't573' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 2031 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't560' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:77: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't572' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:78: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't560' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1422:30: + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't572' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 1422 | t204 = t140*t56 - | ^ -Warning: 't56' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:71: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't571' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:72: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't56' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2031:47: + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't571' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 2031 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't553' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:66: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't570' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:66: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ -note: 't553' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2031:47: +note: 't570' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 2031 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't552' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:60: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't566' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:60: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ -note: 't552' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1508:56: +note: 't566' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1508 | t55 + t93 + t127)*sc - | ^ -Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:54: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't562' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:54: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ +note: 't562' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1169:26: + + 1169 | t151 + | ^ +Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:48: + + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ note: 't55' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2039:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 2039 | t1510 = t874*t547 - | ^ -Warning: 't547' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:43: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't539' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:43: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ -note: 't547' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2043:43: +note: 't539' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 2043 | t1524 = t865/t545/t230*t1522 - | ^ -Warning: 't545' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:37: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't537' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:37: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ -note: 't545' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: +note: 't537' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't544' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:31: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't536' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:31: - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ -note: 't544' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't543' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:25: - - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't543' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2040:30: - - 2040 | t1516 = t540**2 - | ^ -Warning: 't540' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1257:13: - - 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't540' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1386:30: - - 1386 | t148 = t147*t54 - | ^ -Warning: 't54' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:92: - - 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't534' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:81: - - 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't534' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: +note: 't536' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ + 1553 | t98*t1400 + | ^ Warning: 't530' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:69: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:13: - 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ + 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ note: 't530' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1586:49: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ + 1586 | *sx + | ^ Warning: 't529' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:63: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:93: - 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ note: 't529' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't522' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:51: + 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't526' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:87: - 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't522' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't526' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ + 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't525' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:81: + + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't525' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: + + 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ Warning: 't521' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:45: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:75: - 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ note: 't521' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1184:59: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't520' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:39: + 1184 | *t52 - 0.5000000001e0_dp*t41*t172*t46 + | ^ +Warning: 't52' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:69: - 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't520' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't52' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1367:38: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't517' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:33: + 1367 | t624 = 0.1e1_dp/t8/t519 + | ^ +Warning: 't519' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:64: - 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't517' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't519' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't516' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1256:27: + 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't514' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:58: - 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't516' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't514' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ + 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ Warning: 't513' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:70: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:52: - 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ note: 't513' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1601:54: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1244:33: - 1601 | t473*t435)*t51 - | ^ + 1244 | t339 = t48*t10*t51 + | ^ Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:64: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:46: - 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ note: 't51' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2024:63: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - 2024 | *t508*t874 - 0.9531842928e0_dp*t214*t887 - | ^ + 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ Warning: 't508' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:59: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:41: - 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ note: 't508' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2021:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - 2021 | t1391 = t505*t217 + 1553 | t98*t1400 | ^ Warning: 't505' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:53: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:35: - 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ note: 't505' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't504' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:47: + 1553 | t98*t1400 + | ^ +Warning: 't502' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:29: - 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't504' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't502' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1586:49: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't503' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:41: + 1586 | *sx + | ^ +Warning: 't501' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:23: - 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't503' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1920:47: + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't501' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1382:63: - 1920 | t1088 = t5**(-0.1666666667e1_dp) - | ^ + 1382 | /t69*t669) + | ^ Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:35: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:17: - 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ note: 't5' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't497' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:31: - - 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't497' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1431:30: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ + 1431 | t857 = t27*t496 + | ^ Warning: 't496' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:25: - - 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't496' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2015:32: - - 2015 | t1374 = t493*t874 - | ^ -Warning: 't493' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1255:13: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:13: - 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ -note: 't493' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2165:60: +note: 't496' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1485:76: - 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ + 1485 | + t1136) + | ^ Warning: 't492' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:96: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:96: - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: 't492' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 2099 | + t842 - t1609 - | ^ -Warning: 't491' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:90: + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:90: - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ -note: 't491' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - - 2099 | + t842 - t1609 - | ^ -Warning: 't490' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:84: - - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't490' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: +note: 't49' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - 2089 | t1599)*t2)*sc - | ^ + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't489' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:73: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:85: - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ note: 't489' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - - 2099 | + t842 - t1609 - | ^ -Warning: 't488' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:67: - - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't488' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: - - 2089 | t1599)*t2)*sc - | ^ -Warning: 't487' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:61: - - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't487' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2215:50: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - 2215 | - t820 + t486 + t603 - t822 - | ^ + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't486' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:55: - - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't486' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: - - 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't485' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:49: - - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't485' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:79: - 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ -Warning: 't484' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:43: - - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't484' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2089:105: - - 2089 | t1599)*t2)*sc - | ^ -Warning: 't483' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:37: - - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't483' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2159:79: +note: 't486' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't482' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:73: - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ note: 't482' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2072:32: - - 2072 | t1576 = t481*t254 - | ^ -Warning: 't481' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:25: - - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't481' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1839:35: - - 1839 | t842 = 0.3e1_dp*t480 - | ^ -Warning: 't480' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:19: - - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't480' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2145:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - 2145 | t1765 = t320*t479 - | ^ + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't479' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1254:13: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:62: - 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ note: 't479' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: - 1900 | *t45*t1020*t984*t1027 - | ^ + 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't478' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:56: + + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't478' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: + + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't473' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:96: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:50: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ note: 't473' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: - 1900 | *t45*t1020*t984*t1027 + 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't470' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:44: + + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ -Warning: 't472' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:90: +note: 't470' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't472' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: + 1406 | REAL(t46, KIND=dp) + | ^ +Warning: 't47' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:38: - 1900 | *t45*t1020*t984*t1027 - | ^ + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't47' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: + + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't467' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:84: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:33: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ note: 't467' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 1900 | *t45*t1020*t984*t1027 - | ^ -Warning: 't464' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:78: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't466' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:27: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't464' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: + 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't466' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - 1900 | *t45*t1020*t984*t1027 - | ^ -Warning: 't463' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:72: + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't465' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:71: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't463' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't465' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - 1900 | *t45*t1020*t984*t1027 - | ^ -Warning: 't459' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:66: + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't464' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:65: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't459' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't464' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 1900 | *t45*t1020*t984*t1027 - | ^ -Warning: 't458' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:60: + 1477 | t41*t328*t466 + | ^ +Warning: 't463' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:59: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't458' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't463' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 1900 | *t45*t1020*t984*t1027 - | ^ -Warning: 't457' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:54: + 1477 | t41*t328*t466 + | ^ +Warning: 't462' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:53: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't457' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't462' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 1900 | *t45*t1020*t984*t1027 - | ^ -Warning: 't455' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:48: + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't460' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:47: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't455' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't460' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1184:59: - 1900 | *t45*t1020*t984*t1027 - | ^ -Warning: 't454' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:42: + 1184 | *t52 - 0.5000000001e0_dp*t41*t172*t46 + | ^ +Warning: 't46' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:41: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't454' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1876:39: + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't46' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 1876 | *t896 - t189*t914 - | ^ -Warning: 't450' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:36: + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't457' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:36: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ -note: 't450' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1417:30: +note: 't457' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 1417 | t195 = t45*t173 - | ^ -Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:30: + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't455' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:30: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't447' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:25: - - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't447' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't444' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:19: - - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't444' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1868:31: +note: 't455' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1514:57: - 1868 | t945 = t443*t873 - | ^ -Warning: 't443' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1253:13: + 1514 | + 0.5999999999e1_dp*t128*t132*t529 + | ^ +Warning: 't452' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:24: - 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't443' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1876:39: + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't452' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 1876 | *t896 - t189*t914 - | ^ -Warning: 't440' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:96: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't451' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:18: - 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't440' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1876:39: + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't451' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1139:49: - 1876 | *t896 - t189*t914 - | ^ -Warning: 't439' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:90: + 1139 | t103 = EXP(-0.9000000000e1_dp*t44) + | ^ +Warning: 't44' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:12: - 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't439' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1885:32: + 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't44' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1885 | t1013 = t874*t434 - | ^ -Warning: 't434' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:78: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't435' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:94: - 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't434' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1889:43: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't435' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1153:34: - 1889 | t1027 = t865/t432/t178*t1025 - | ^ -Warning: 't432' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:72: + 1153 | t130 = t128*t43*t94 + | ^ +Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:88: - 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't432' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't431' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:66: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't429' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:83: - 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't431' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't429' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't430' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:60: + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't428' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:77: - 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't430' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1886:30: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't428' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1155:30: - 1886 | t1019 = t427**2 + 1155 | t133 = t42*t132 | ^ -Warning: 't427' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:48: +Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:71: - 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't427' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't421' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:36: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't418' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:66: - 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't421' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't418' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 1917 | *bp*t1020*t984*t1027 - | ^ + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ Warning: 't417' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:19: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:60: - 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ note: 't417' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't416' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1252:13: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't413' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:54: - 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't416' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't413' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1304:30: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't409' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:87: + 1304 | t489 = t41*t135 + | ^ +Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:42: - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't409' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - 1917 | *bp*t1020*t984*t1027 - | ^ + 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ Warning: 't408' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:81: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:37: - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ note: 't408' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't407' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:75: + 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't405' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:31: - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't407' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't405' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't406' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:69: + 1553 | t98*t1400 + | ^ +Warning: 't404' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:25: - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't406' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't404' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't403' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:63: + 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't401' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:19: - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't403' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't401' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't402' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:57: + 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't400' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:13: - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't402' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1413:30: + 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't400' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1152:30: - 1413 | t189 = t40*t155 + 1152 | t128 = t40*t127 | ^ Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:51: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:92: - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ note: 't40' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1525:35: - - 1525 | t355 = t4**0.20e1_dp - | ^ -Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:46: - - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't399' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:42: - - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't399' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1865:62: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - 1865 | *t394*t874 - 0.9531842928e0_dp*t161*t887 - | ^ -Warning: 't394' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:36: + 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't397' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:87: - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't394' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2031:47: + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't397' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - 2031 | *t560*t1394 - t239*t1404 - | ^ + 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ Warning: 't393' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:81: - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ note: 't393' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1877:39: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1158:29: - 1877 | t972 = t39**(-0.40e1_dp) - | ^ + 1158 | t137 = t39*t94 + | ^ Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1251:12: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:75: - 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ note: 't39' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: - - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't389' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:95: - - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't389' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1861:49: - - 1861 | t903 = 0.1211413728e1_dp*t388*t873 - | ^ -Warning: 't388' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:89: - - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't388' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1858:31: - - 1858 | t893 = t385*t164 - | ^ -Warning: 't385' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:83: - - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't385' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - 1917 | *bp*t1020*t984*t1027 - | ^ + 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ Warning: 't384' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:77: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:70: - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ note: 't384' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - 1917 | *bp*t1020*t984*t1027 - | ^ + 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ Warning: 't383' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:71: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:64: - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ note: 't383' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2017:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 2017 | t1380 = t379*t217 - | ^ -Warning: 't379' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:60: + 1442 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't382' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:58: - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't379' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't382' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1257:68: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't376' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:54: + 1257 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 + | ^ +Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:52: - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't376' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't38' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't375' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:48: + 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't377' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:47: - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't375' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2013:32: + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't377' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - 2013 | t1371 = t372*t217 - | ^ + 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ Warning: 't372' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:36: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:41: - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ note: 't372' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2212:29: - - 2212 | *t1776 - | ^ -Warning: 't371' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1286:30: - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + 1286 | t435 = t37*t196 | ^ -note: 't371' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1844:40: - - 1844 | t864 = 0.1e1_dp/t370/t130 - | ^ -Warning: 't370' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:24: - - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't370' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1601:54: - - 1601 | t473*t435)*t51 - | ^ Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1250:18: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:35: - 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ note: 't37' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1851:31: - - 1851 | t875 = t367*t874 - | ^ -Warning: 't367' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:87: - - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't367' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2014:38: - - 2014 | t1372 = t366*t212*t1371 - | ^ -Warning: 't366' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:81: - - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't366' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2165:60: - - 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't365' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:75: - - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't365' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - - 2099 | + t842 - t1609 - | ^ -Warning: 't364' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:69: - - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't364' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2099:37: - - 2099 | + t842 - t1609 - | ^ -Warning: 't363' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:63: - - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't363' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2009:32: - - 2009 | t1361 = t362*t202 - | ^ -Warning: 't362' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:57: - - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't362' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2075:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - 2075 | t1582 = t359*t254 + 1553 | t98*t1400 | ^ -Warning: 't359' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:51: +Warning: 't368' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:30: - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't359' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2073:32: + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't368' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - 2073 | t1578 = t357*t254 + 1553 | t98*t1400 | ^ -Warning: 't357' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:45: - - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't357' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2142:75: - - 2142 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 - | ^ -Warning: 't356' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:39: +Warning: 't365' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:24: - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't356' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2130:32: + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't365' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - 2130 | t1697 = t315*t355 + 1553 | t98*t1400 | ^ -Warning: 't355' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:33: +Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:18: - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't355' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2010:32: + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1363:30: - 2010 | t1363 = t353*t254 - | ^ -Warning: 't353' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1249:27: + 1363 | t601 = t27*t358 + | ^ +Warning: 't358' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:13: - 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't353' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2202:58: + 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't358' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: - 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't352' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:72: + 1421 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't354' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:96: - 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't352' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1939:32: + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't354' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 1939 | t1137 = t351*t305 - | ^ + 1477 | t41*t328*t466 + | ^ Warning: 't351' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:66: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:90: - 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ note: 't351' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1930:32: - - 1930 | t1110 = t350*t142 - | ^ -Warning: 't350' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:60: - - 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't350' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2111:34: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 2111 | *t136*t1639 - | ^ + 1477 | t41*t328*t466 + | ^ Warning: 't347' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:54: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:84: - 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ note: 't347' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1928:28: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: - 1928 | t1096 - | ^ -Warning: 't344' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:48: + 1406 | REAL(t46, KIND=dp) + | ^ +Warning: 't346' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:78: - 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't344' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2225:34: + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't346' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 2225 | *t136*t1986 - | ^ + 1477 | t41*t328*t466 + | ^ Warning: 't343' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:42: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:72: - 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ note: 't343' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2152:64: - - 2152 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 - | ^ -Warning: 't340' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:36: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + 1477 | t41*t328*t466 | ^ -note: 't340' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2207:29: - - 2207 | *t1094 - | ^ -Warning: 't338' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:25: - - 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't338' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2188:64: - - 2188 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 - | ^ -Warning: 't337' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:19: - - 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't337' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2142:75: - - 2142 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 - | ^ -Warning: 't333' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1248:13: +Warning: 't339' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:61: - 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't333' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2225:34: + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't339' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: - 2225 | *t136*t1986 - | ^ -Warning: 't332' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:96: + 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't335' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:55: - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't332' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't335' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: - 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't329' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:90: + 1406 | REAL(t46, KIND=dp) + | ^ +Warning: 't330' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:49: - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't329' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1835:88: + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't330' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ + 1477 | t41*t328*t466 + | ^ Warning: 't328' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:84: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:43: - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ note: 't328' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1821:31: - - 1821 | t825 = t732*t327 - | ^ -Warning: 't327' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:78: - - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't327' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1835:88: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ + 1477 | t41*t328*t466 + | ^ Warning: 't326' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:72: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:37: - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ note: 't326' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: - 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ + 1421 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ Warning: 't325' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:66: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:31: - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ note: 't325' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1835:88: - - 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ -Warning: 't324' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:60: - - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't324' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1835:88: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1463:38: - 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ + 1463 | *t128*t323*t172 + | ^ Warning: 't323' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:54: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:25: - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ note: 't323' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2101:32: - - 2101 | t1613 = t322*t591 - | ^ -Warning: 't322' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:48: - - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't322' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1835:88: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: - 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ + 1421 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ Warning: 't321' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:42: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:19: - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ note: 't321' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2145:32: - - 2145 | t1765 = t320*t479 - | ^ -Warning: 't320' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:36: - - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't320' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2148:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: - 2148 | t1776 = t317*t591 - | ^ -Warning: 't317' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:25: + 1421 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't319' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:13: - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't317' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2129:32: + 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't319' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: - 2129 | t1696 = t316*t704 - | ^ + 1421 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ Warning: 't316' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:19: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:97: - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ note: 't316' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2130:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 2130 | t1697 = t315*t355 - | ^ -Warning: 't315' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1247:13: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't313' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:91: - 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't315' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2225:34: + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't313' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: - 2225 | *t136*t1986 - | ^ + 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't312' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:94: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:85: - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ note: 't312' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1751:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1226:31: - 1751 | t730 = t352*t309 + 1226 | *t30*t281 | ^ -Warning: 't309' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:88: - - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't309' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1739:35: - - 1739 | t715 = 0.2e1_dp*t306 - | ^ -Warning: 't306' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:82: - - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't306' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2147:41: +Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:73: - 2147 | t1775 = 0.2e1_dp*t729*t305 - | ^ -Warning: 't305' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:76: + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1485:76: - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + 1485 | + t1136) | ^ -note: 't305' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2123:54: - - 2123 | t1690 = 0.2400e2_dp*t771*t304*t133*t309 - | ^ Warning: 't304' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:70: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:68: - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ note: 't304' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1491:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1144:26: - 1491 | t309 = -t3 - t132 - | ^ -Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:64: + 1144 | t109 + | ^ +Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:62: - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1229:28: - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't298' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:60: + 1229 | t293 = t3*t55 + | ^ +Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:57: - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't298' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1724:31: + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1724 | t691 = t297*t393 - | ^ + 1544 | *t36*t38*t1396 + | ^ Warning: 't297' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:54: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:53: - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ note: 't297' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1983:71: - - 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't295' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:48: - - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't295' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1718:31: - - 1718 | t679 = t678*t294 - | ^ -Warning: 't294' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:42: - - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't294' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1720:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1720 | t682 = t293*t681 - | ^ + 1544 | *t36*t38*t1396 + | ^ Warning: 't293' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:36: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:47: - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ note: 't293' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1717:43: - - 1717 | t674*t619 - t291*t627 - | ^ -Warning: 't291' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:30: - - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't291' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1571:39: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1194:35: - 1571 | t429 = 0.1e1_dp/t427/t29 - | ^ + 1194 | t211 = rho*t29*omega + | ^ Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:24: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:41: - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ note: 't29' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1971:47: - - 1971 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't288' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:19: - - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't288' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1971:47: - - 1971 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't287' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1246:13: - - 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't287' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1704:31: - - 1704 | t651 = t379*t283 - | ^ -Warning: 't283' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:89: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't283' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1964:43: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't289' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:36: - 1964 | t1252 = t865/t659/t282*t1250 - | ^ -Warning: 't282' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:83: + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't289' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't282' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1963:30: + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't285' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:30: - 1963 | t1250 = t280**2 + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ -Warning: 't280' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:77: - - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't280' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't279' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:66: - - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't279' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1703:31: - - 1703 | t648 = t278*t393 - | ^ -Warning: 't278' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:60: - - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't278' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1957:41: +note: 't285' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: - 1957 | t1218 = 0.1e1_dp/t654/t276 - | ^ -Warning: 't276' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:48: + 1421 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't284' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:24: - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't276' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't284' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't273' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:42: + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't281' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:18: - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't273' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1696:31: + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't281' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1141:30: - 1696 | t634 = t272*t406 - | ^ -Warning: 't272' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:36: + 1141 | t105 = t28*t104 + | ^ +Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:12: - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't272' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1733:62: + 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1733 | *t697*t662)*t122) - | ^ -Warning: 't269' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:25: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't271' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:95: - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't269' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1953:63: + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't271' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 1953 | *t622*t874 - 0.9531842928e0_dp*t266*t887 - | ^ -Warning: 't266' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:19: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't270' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:89: - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't266' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't270' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ Warning: 't265' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1245:13: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:78: - 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ note: 't265' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1943:38: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 1943 | t1149 = t366*t264*t1148 - | ^ + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ Warning: 't264' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:97: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:72: - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ note: 't264' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1948:30: - - 1948 | t1165 = t263**2 - | ^ -Warning: 't263' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:91: - - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't263' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1999:61: - - 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't260' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:85: - - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't260' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: - 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ + 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ Warning: 't259' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:79: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:61: - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ note: 't259' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1742:88: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - 1742 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ + 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ Warning: 't258' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:73: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:55: - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ note: 't258' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1669:31: - - 1669 | t594 = t352*t257 - | ^ -Warning: 't257' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:67: - - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't257' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: - - 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't256' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:61: - - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't256' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1738:35: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 1738 | t712 = 0.2e1_dp*t255 - | ^ + 1442 | *t244*ndrho/t657/t7*t669) + | ^ Warning: 't255' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:55: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:49: - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ note: 't255' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1613:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 1613 | t491 = t144*t254 - | ^ + 1442 | *t244*ndrho/t657/t7*t669) + | ^ Warning: 't254' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:49: - - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't254' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2146:49: - - 2146 | t1768 = 0.2400e2_dp*t750*t253*t751 - | ^ -Warning: 't253' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:43: - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ -note: 't253' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2138:52: +note: 't254' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 2138 | t1730 = 0.160e2_dp*t755*t756*t252*t91 - | ^ -Warning: 't252' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:37: + 1442 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't251' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:37: - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ -note: 't252' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: +note: 't251' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't246' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:31: + 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't250' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:31: - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ -note: 't246' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1657:31: +note: 't250' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - 1657 | t577 = t245*t393 - | ^ + 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ Warning: 't245' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:25: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:25: - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: 't245' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2054:69: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't243' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:19: + 1442 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't244' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:19: - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ -note: 't243' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1651:31: - - 1651 | t565 = t564*t242 - | ^ -Warning: 't242' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1244:13: - - 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't242' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1653:31: +note: 't244' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 1653 | t568 = t241*t567 - | ^ + 1442 | *t244*ndrho/t657/t7*t669) + | ^ Warning: 't241' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:95: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:13: - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ + 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ note: 't241' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1388:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: - 1388 | t150 = t149*t24 - | ^ + 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ Warning: 't24' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:89: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:96: - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ note: 't24' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1650:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 1650 | t560*t505 - t239*t513 - | ^ -Warning: 't239' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:84: + 1442 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't237' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:91: - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't239' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2031:47: + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't237' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 2031 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't236' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:78: + 1442 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't233' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:85: - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't236' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1637:31: + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't233' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 1637 | t537 = t379*t231 - | ^ -Warning: 't231' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:60: + 1442 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't232' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:79: - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't231' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2043:43: + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't232' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - 2043 | t1524 = t865/t545/t230*t1522 - | ^ + 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ Warning: 't230' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:54: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:67: - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ note: 't230' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1420:70: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1140:34: - 1420 | t37*(t193*t23 + 0.3177280975e0_dp*t196*t180)*t51 - | ^ + 1140 | t104 = 0.1e1_dp/t23 + | ^ Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:48: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:61: - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ note: 't23' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2042:30: - - 2042 | t1522 = t228**2 - | ^ -Warning: 't228' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:43: - - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't228' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: - - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't227' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:37: - - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't227' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1636:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 1636 | t534 = t226*t393 - | ^ + 1442 | *t244*ndrho/t657/t7*t669) + | ^ Warning: 't226' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:56: - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ note: 't226' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2036:41: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: - 2036 | t1490 = 0.1e1_dp/t540/t224 - | ^ -Warning: 't224' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:19: + 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't225' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:50: - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't224' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't225' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ + 1442 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't222' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:44: + + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't222' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1368:30: + + 1368 | t628 = t221*t76 + | ^ Warning: 't221' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1243:13: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:38: - 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ note: 't221' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1629:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1119:34: - 1629 | t520 = t220*t406 - | ^ -Warning: 't220' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:94: + 1119 | t68 = rho*t22*omega + | ^ +Warning: 't22' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:32: - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't220' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1666:64: + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't22' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1382:63: - 1666 | *t583*t548)*t86)*t91 - | ^ -Warning: 't217' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:88: + 1382 | /t69*t669) + | ^ +Warning: 't219' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:27: - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't217' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2024:63: + 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't219' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: - 2024 | *t508*t874 - 0.9531842928e0_dp*t214*t887 - | ^ -Warning: 't214' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:82: + 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't216' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:70: - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't214' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't216' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ + 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ Warning: 't213' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:76: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:64: - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ note: 't213' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2014:38: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - 2014 | t1372 = t366*t212*t1371 - | ^ + 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ Warning: 't212' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:70: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:58: - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ note: 't212' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2019:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: - 2019 | t1388 = t211**2 - | ^ + 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ Warning: 't211' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:64: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:52: - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ note: 't211' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2070:73: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1232:30: - 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't208' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:58: + 1232 | t311 = t126*t21 + | ^ +Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:46: - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't208' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: - 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ + 1553 | t98*t1400 + | ^ Warning: 't207' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:52: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:41: - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ note: 't207' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1742:88: - - 1742 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ -Warning: 't206' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:46: - - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't206' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: - - 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't205' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:40: - - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't205' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2074:32: - - 2074 | t1580 = t204*t591 - | ^ -Warning: 't204' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1242:27: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1263:30: - 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't204' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1737:35: + 1263 | t365 = t27*t200 + | ^ +Warning: 't200' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:35: - 1737 | t709 = 0.2e1_dp*t203 + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ -Warning: 't203' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1241:77: - - 1241 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 - | ^ -note: 't203' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2144:41: - - 2144 | t1764 = 0.2e1_dp*t741*t202 - | ^ -Warning: 't202' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1241:64: - - 1241 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 - | ^ -note: 't202' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1508:56: +note: 't200' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1346:29: - 1508 | t55 + t93 + t127)*sc - | ^ + 1346 | t576 = t2*t501 + | ^ Warning: 't2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1241:25: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:29: - 1241 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 - | ^ + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ note: 't2' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1313:70: - 1900 | *t45*t1020*t984*t1027 - | ^ + 1313 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ Warning: 't196' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1240:72: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:25: - 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^ + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ note: 't196' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1592:31: - - 1592 | t467 = t195*t393 - | ^ -Warning: 't195' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1240:66: - - 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^ -note: 't195' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1900:44: - - 1900 | *t45*t1020*t984*t1027 - | ^ -Warning: 't193' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1240:39: - - 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^ -note: 't193' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1586:31: - - 1586 | t455 = t454*t192 - | ^ -Warning: 't192' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1240:33: - - 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^ -note: 't192' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1588:31: - - 1588 | t458 = t191*t457 - | ^ -Warning: 't191' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1240:27: - - 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^ -note: 't191' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1585:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 1585 | t450*t385 - t189*t399 - | ^ -Warning: 't189' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1239:61: + 1477 | t41*t328*t466 + | ^ +Warning: 't190' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:19: - 1239 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & - | ^ -note: 't189' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1733:62: + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't190' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 1733 | *t697*t662)*t122) - | ^ + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ Warning: 't186' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1239:20: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:13: - 1239 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & - | ^ + 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ note: 't186' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1581:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 1581 | t447 = t185*t337 - | ^ + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ Warning: 't185' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1238:80: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:96: - 1238 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & - | ^ + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ note: 't185' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1876:39: - - 1876 | *t896 - t189*t914 - | ^ -Warning: 't184' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1238:74: - - 1238 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & - | ^ -note: 't184' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1392:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1176:59: - 1392 | t156 = t18*t155 - | ^ + 1176 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 + | ^ Warning: 't18' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1237:94: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:90: - 1237 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & - | ^ + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ note: 't18' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1569:31: - - 1569 | t424 = t379*t179 - | ^ -Warning: 't179' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1237:75: - - 1237 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & - | ^ -note: 't179' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1889:43: - - 1889 | t1027 = t865/t432/t178*t1025 - | ^ -Warning: 't178' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1237:34: - - 1237 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & - | ^ -note: 't178' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1888:30: - - 1888 | t1025 = t176**2 - | ^ -Warning: 't176' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1236:72: - - 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^ -note: 't176' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't175' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1236:52: + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't177' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:85: - 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^ -note: 't175' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1568:31: + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't177' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1318:79: - 1568 | t421 = t174*t393 - | ^ -Warning: 't174' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1236:46: + 1318 | *t24*t98*t496)*sx + | ^ +Warning: 't173' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:73: - 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^ -note: 't174' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1882:40: + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't173' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1355:35: - 1882 | t993 = 0.1e1_dp/t427/t172 - | ^ + 1355 | *t36*t38*t586 + | ^ Warning: 't172' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1236:20: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:67: - 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^ + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ note: 't172' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1901:48: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1122:28: - 1901 | t1043 = t17**(-0.2333333333e1_dp) - | ^ + 1122 | t72 = t71*t17 + | ^ Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1235:94: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:61: - 1235 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & - | ^ + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ note: 't17' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1331:41: - 1917 | *bp*t1020*t984*t1027 - | ^ + 1331 | - 0.20e1_dp*t6*t526 + | ^ Warning: 't169' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1235:54: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:56: - 1235 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & - | ^ + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ note: 't169' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1559:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1266:31: - 1559 | t403 = t402*t168 + 1266 | t377 = t225*t168 | ^ Warning: 't168' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1235:48: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:50: - 1235 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & - | ^ + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ note: 't168' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1561:31: - - 1561 | t407 = t167*t406 - | ^ -Warning: 't167' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1234:75: - - 1234 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 - | ^ -note: 't167' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1601:54: - - 1601 | t473*t435)*t51 - | ^ -Warning: 't164' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1234:20: - - 1234 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 - | ^ -note: 't164' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1865:62: - - 1865 | *t394*t874 - 0.9531842928e0_dp*t161*t887 - | ^ -Warning: 't161' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1233:48: - - 1233 | t1603, t1604, t1605, t1606, t1609, t161, t1610, t1611, t1613, t1615, t1620, t1622, t1626, & - | ^ -note: 't161' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1578:31: - - 1578 | t440 = t439*t160 - | ^ -Warning: 't160' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1232:87: - - 1232 | t1570, t1576, t1578, t1580, t1582, t1588, t159, t1590, t1593, t1599, t16, t160, t1602, & - | ^ -note: 't160' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1862:49: - - 1862 | t905 = 0.1817120592e1_dp*t157*t371 - | ^ -Warning: 't157' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1231:93: - - 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^ -note: 't157' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1203:38: - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't156' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1231:80: + 1203 | t230 = 0.1e1_dp/t75/t16 + | ^ +Warning: 't16' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:44: - 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^ -note: 't156' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1848:36: + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1193:30: - 1848 | t870 = t366*t155*t869 - | ^ + 1193 | t207 = t27*t155 + | ^ Warning: 't155' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1231:74: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:32: - 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^ + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ note: 't155' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1856:29: - - 1856 | t890 = t154**2 - | ^ -Warning: 't154' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1231:68: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1257:68: - 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + 1257 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 | ^ -note: 't154' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2018:32: - - 2018 | t1383 = t151*t513 - | ^ Warning: 't151' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1231:20: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:26: - 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^ + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ note: 't151' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't150' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:91: - - 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ -note: 't150' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1421:30: - - 1421 | t203 = t15*t202 - | ^ -Warning: 't15' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:85: - - 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ -note: 't15' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1917:43: - - 1917 | *bp*t1020*t984*t1027 - | ^ -Warning: 't149' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:66: - - 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ -note: 't149' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1795:90: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1308:82: - 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ + 1308 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 + | ^ Warning: 't148' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:46: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:20: - 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ + 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ note: 't148' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1919:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 1919 | t1086 = t147*t479 - | ^ + 1477 | t41*t328*t466 + | ^ Warning: 't147' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:33: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:93: - 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ + 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^ note: 't147' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1613:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: - 1613 | t491 = t144*t254 - | ^ -Warning: 't144' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1230:13: + 1477 | t41*t328*t466 + | ^ +Warning: 't146' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:80: - 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ -note: 't144' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1528:31: + 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^ +note: 't146' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1308:82: - 1528 | t359 = t143*t340 - | ^ + 1308 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 + | ^ Warning: 't143' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1229:94: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:60: - 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^ + 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^ note: 't143' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2183:32: - - 2183 | t1858 = t802*t142 - | ^ -Warning: 't142' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1229:88: - - 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^ -note: 't142' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2077:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1245:35: - 2077 | t1590 = t141*t704 - | ^ + 1245 | t343 = t141*t135*t46 + | ^ Warning: 't141' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1229:82: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:47: - 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^ + 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^ note: 't141' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1932:32: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: - 1932 | t1113 = t140*t355 - | ^ + 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ Warning: 't140' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1229:69: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:20: - 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^ + 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^ note: 't140' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1746:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: - 1746 | t722 = t343*t137 - | ^ + 1406 | REAL(t46, KIND=dp) + | ^ Warning: 't137' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1228:82: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:89: - 1228 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & - | ^ + 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ note: 't137' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: - 2173 | *t725*t371 - | ^ + 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ Warning: 't136' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1228:41: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:83: - 1228 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & - | ^ + 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ note: 't136' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1780:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1304:30: - 1780 | t772 = t125*t133 - | ^ + 1304 | t489 = t41*t135 + | ^ +Warning: 't135' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:77: + + 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't135' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1219:69: + + 1219 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 + | ^ Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1227:56: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:50: - 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^ + 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ note: 't133' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1698:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1514:57: - 1698 | t636 = t635*t131 - | ^ -Warning: 't131' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1227:44: + 1514 | + 0.5999999999e1_dp*t128*t132*t529 + | ^ +Warning: 't132' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:44: - 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ -note: 't131' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1844:40: +note: 't132' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1219:69: - 1844 | t864 = 0.1e1_dp/t370/t130 - | ^ + 1219 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 + | ^ Warning: 't130' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1227:38: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:38: - 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ note: 't130' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1486:30: - - 1486 | t306 = t13*t305 - | ^ -Warning: 't13' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1227:32: - - 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:2173:33: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1237:35: - 2173 | *t725*t371 - | ^ -Warning: 't129' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1227:20: + 1237 | t321 = t128*t43*t258 + | ^ +Warning: 't128' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:25: - 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^ -note: 't129' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1508:56: + 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't128' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1299:30: - 1508 | t55 + t93 + t127)*sc - | ^ + 1299 | t473 = t94*t127 + | ^ Warning: 't127' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1226:94: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:19: - 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^ + 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ note: 't127' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1456:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1232:30: - 1456 | t257 = t126*t133 - | ^ + 1232 | t311 = t126*t21 + | ^ Warning: 't126' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1226:88: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:13: - 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^ + 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ note: 't126' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1780:31: - - 1780 | t772 = t125*t133 - | ^ -Warning: 't125' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1226:68: - - 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1733:62: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1313:70: - 1733 | *t697*t662)*t122) - | ^ + 1313 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ Warning: 't122' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1226:27: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:85: - 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^ + 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ note: 't122' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1381:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1174:67: - 1381 | t141 = t140*t12 - | ^ + 1174 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 + | ^ Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1225:74: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:79: - 1225 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & - | ^ + 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ note: 't12' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1481:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1257:68: - 1481 | t297 = t116*t277 - | ^ + 1257 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 + | ^ +Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:74: + + 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: + + 1544 | *t36*t38*t1396 + | ^ +Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:61: + + 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: + + 1553 | t98*t1400 + | ^ Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1225:27: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:41: - 1225 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & - | ^ + 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ note: 't116' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1477:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: - 1477 | t291 = t111*t264 - | ^ -Warning: 't111' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1223:72: + 1544 | *t36*t38*t1396 + | ^ +Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:89: - 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^ -note: 't111' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1972:41: + 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: - 1972 | t1299 = t110**(-0.40e1_dp) - | ^ -Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1223:52: + 1456 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't112' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:83: - 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1526:30: + 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't112' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: - 1526 | t356 = t11*t355 - | ^ + 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ Warning: 't11' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1223:46: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:70: - 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^ + 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ note: 't11' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1733:62: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1284:66: - 1733 | *t697*t662)*t122) - | ^ + 1284 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172 + | ^ Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1223:20: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:58: - 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^ + 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ note: 't109' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1706:40: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1355:35: - 1706 | t656 = 0.1e1_dp/t654/t101 - | ^ -Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1221:90: + 1355 | *t36*t38*t586 + | ^ +Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:45: - 1221 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1376:29: + 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1364:36: - 1376 | t132 = t1*t131 - | ^ -Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1221:78: + 1364 | t605 = rho*t104*omega + | ^ +Warning: 't104' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:32: - 1221 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & - | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1023:48: + 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't104' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1355:35: - 1023 | t540 = 0.1817120592e1_dp*t98*t221 - | ^ -Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:685:62: + 1355 | *t36*t38*t586 + | ^ +Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:26: - 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: + 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1174:67: - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't97' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:685:57: + 1174 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 + | ^ +Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1037:77: - 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:884:30: + 1037 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1186:69: - 884 | t291 = t124*t96 - | ^ -Warning: 't96' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:685:46: + 1186 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 + | ^ +Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1037:72: - 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^ -note: 't96' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1017:28: + 1037 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: - 1017 | t525 = t95**2 - | ^ + 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't98' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:287:26: + + 287 | REAL(kind=dp) :: t98, t99, xx + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:492:94: + + 492 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx + | ^ Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:685:23: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:67: - 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^ + 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ note: 't95' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:924:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:544:70: - 924 | t357 = t92*t165 - | ^ -Warning: 't92' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:685:12: + 544 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ +Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:62: - 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^ -note: 't92' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:870:30: + 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:507:72: - 870 | t261 = t260*t91 - | ^ + 507 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + | ^ Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:97: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:51: - 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ + 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ note: 't91' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1005:39: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:433:30: - 1005 | t499 = 0.1e1_dp/t220/t90 - | ^ + 433 | t226 = t225*t90 + | ^ Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:92: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:46: - 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ + 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ note: 't90' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't89' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:87: - - 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:923:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:504:55: - 923 | t356 = t88*t160 - | ^ -Warning: 't88' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:82: + 504 | t87 + 0.8000000000e1_dp*t393*t397 + | ^ +Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:35: - 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:836:75: + 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:559:66: - 836 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc - | ^ + 559 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 + | ^ Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:53: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:18: - 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ + 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ note: 't86' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:799:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:606:39: - 799 | t155 = t154*t85 - | ^ + 606 | t669 = 0.1e1_dp/t85/t667 + | ^ Warning: 't85' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:684:36: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:95: - 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ + 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ note: 't85' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:972:67: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:605:28: - 972 | *t443*t408)*t80) - t332 + 605 | t667 = t84**2 + | ^ +Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:78: + + 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:390:31: + + 390 | t140 = t8*my_rho + | ^ +Warning: 't8' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:67: + + 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & | ^ -Warning: 't80' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:683:44: +note: 't8' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:624:67: - 683 | REAL(KIND=dp) :: t792, t793, t798, t80, t800, t804, t807, t808, t810, t814, t820, t823, & - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:822:30: + 624 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 + | ^ +Warning: 't79' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:51: - 822 | t193 = t74*t173 + 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't79' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:446:30: + + 446 | t255 = t77*t254 | ^ -Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:682:18: +Warning: 't77' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:46: - 682 | t732, t74, t743, t745, t748, t752, t755, t758, t769, t78 - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:818:30: + 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't77' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: - 818 | t187 = t69*t160 + 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't76' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:35: + + 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:601:28: + + 601 | t639 = t75**2 + | ^ +Warning: 't75' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:30: + + 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't75' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:507:72: + + 507 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + | ^ +Warning: 't72' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:90: + + 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't72' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: + + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't71' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:79: + + 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't71' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:351:30: + + 351 | t69 = t7*my_rho | ^ +Warning: 't7' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:74: + + 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:613:63: + + 613 | /t69*t669) + | ^ Warning: 't69' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:681:28: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:70: - 681 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & - | ^ + 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ note: 't69' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1090:39: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: - 1090 | t769 = t68**(-0.40e1_dp) - | ^ + 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ Warning: 't68' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:681:23: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:59: - 681 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & - | ^ + 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ note: 't68' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:972:67: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: - 972 | *t443*t408)*t80) - t332 - | ^ -Warning: 't67' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:681:18: + 784 | t98*t1400 + | ^ +Warning: 't64' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:18: - 681 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & + 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & | ^ -note: 't67' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:945:39: +note: 't64' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:403:74: - 945 | t402 = 0.1e1_dp/t400/t59 - | ^ + 403 | 0.2222222224e0_dp*t24*t98*t155)*sx + | ^ +Warning: 't60' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:51: + + 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't60' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + + 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:46: + + 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:729:31: + + 729 | t1153 = t27*t590 + | ^ +Warning: 't590' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:42: + + 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't590' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: + + 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ Warning: 't59' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:680:47: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:36: - 680 | t567, t570, t573, t58, t583, t589, t59, t595, t596, t6, t601, t603, t613, t62, t625, t64, & - | ^ + 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ note: 't59' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:800:29: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 800 | t156 = t88*t55 - | ^ -Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:679:77: + 775 | *t36*t38*t1396 + | ^ +Warning: 't586' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:31: - 679 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:826:26: + 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't586' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: - 826 | t144 - | ^ -Warning: 't54' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:679:54: + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't580' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:25: - 679 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:827:30: + 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't580' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 827 | t203 = t51*t202 - | ^ -Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:678:70: + 775 | *t36*t38*t1396 + | ^ +Warning: 't576' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:19: - 678 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:764:27: + 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't576' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 764 | t97 = t5*t96 - | ^ -Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:678:29: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't575' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:13: - 678 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: + 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't575' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ -Warning: 't490' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:95: + 775 | *t36*t38*t1396 + | ^ +Warning: 't574' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:96: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't490' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't574' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: - 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't489' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:84: + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't573' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:90: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't573' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't572' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:84: + + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ -note: 't489' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1167:32: +note: 't572' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 1167 | t1019 = t488*t202 - | ^ -Warning: 't488' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:78: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't571' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:78: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ -note: 't488' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: +note: 't571' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't485' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:72: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't570' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:72: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ -note: 't485' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: +note: 't570' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't482' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:66: + 775 | *t36*t38*t1396 + | ^ +Warning: 't566' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:66: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ -note: 't482' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1083:47: +note: 't566' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1083 | t732 = t48**(-0.1666666667e1_dp) - | ^ -Warning: 't48' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:60: + 775 | *t36*t38*t1396 + | ^ +Warning: 't562' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:60: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: +note: 't562' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:400:26: - 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't479' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:55: + 400 | t151 + | ^ +Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:54: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't479' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't475' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:49: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't539' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:49: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ -note: 't475' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: +note: 't539' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't472' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:43: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't537' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:43: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ -note: 't472' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1158:35: +note: 't537' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 1158 | t990 = 0.2e1_dp*t471 - | ^ -Warning: 't471' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:37: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't536' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:37: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ -note: 't471' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1156:40: +note: 't536' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: - 1156 | t984 = 0.2e1_dp*t470*t202 - | ^ -Warning: 't470' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:31: + 784 | t98*t1400 + | ^ +Warning: 't530' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:19: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't470' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't530' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:817:44: - 1176 | + t489)*sc - | ^ -Warning: 't467' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:25: + 817 | *sx + | ^ +Warning: 't529' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:13: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't467' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: + 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't529' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: - 1176 | + t489)*sc - | ^ -Warning: 't464' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:19: + 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't526' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:93: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't526' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + + 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't525' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:87: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't525' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + + 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't521' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:81: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't521' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:415:59: + + 415 | *t52 - 0.5000000001e0_dp*t41*t172*t46 + | ^ +Warning: 't52' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:75: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't52' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:598:38: + + 598 | t624 = 0.1e1_dp/t8/t519 + | ^ +Warning: 't519' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:70: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't519' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + + 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't514' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:64: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't514' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: + + 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't513' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:58: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't513' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:475:33: + + 475 | t339 = t48*t10*t51 + | ^ +Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:52: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: + + 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't508' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:47: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't508' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + + 784 | t98*t1400 + | ^ +Warning: 't505' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:41: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't505' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: + + 784 | t98*t1400 + | ^ +Warning: 't502' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:35: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't502' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:817:44: + + 817 | *sx + | ^ +Warning: 't501' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:29: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't501' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:613:63: + + 613 | /t69*t669) + | ^ +Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:23: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:662:30: + + 662 | t857 = t27*t496 + | ^ +Warning: 't496' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:19: + + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ -note: 't464' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: +note: 't496' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:716:76: - 1176 | + t489)*sc - | ^ -Warning: 't461' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:677:13: + 716 | + t1136) + | ^ +Warning: 't492' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:13: - 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ -note: 't461' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: +note: 't492' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: - 1176 | + t489)*sc - | ^ -Warning: 't458' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:91: + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:96: - 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: + + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't489' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:91: + + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ -note: 't458' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1147:35: +note: 't489' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: - 1147 | t956 = 0.3e1_dp*t452 - | ^ -Warning: 't452' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:73: + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't486' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:85: - 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't452' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1157:31: + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't486' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: - 1157 | t986 = t212*t451 - | ^ -Warning: 't451' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:67: + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't482' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:79: - 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't451' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1080:47: + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't482' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: - 1080 | t721 = t45**(-0.1666666667e1_dp) - | ^ -Warning: 't45' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:61: + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't479' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:68: - 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't479' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't443' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:56: + 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't478' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:62: - 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't478' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: + + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't473' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:56: + + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ -note: 't443' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: +note: 't473' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't442' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:50: + 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't470' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:50: - 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ -note: 't442' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: +note: 't470' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't437' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:39: + 637 | REAL(t46, KIND=dp) + | ^ +Warning: 't47' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:44: - 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't47' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: + + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't467' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:39: + + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ -note: 't437' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: +note: 't467' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't434' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:33: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't466' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:33: - 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ -note: 't434' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: +note: 't466' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't433' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:676:27: + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't465' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:27: - 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ -note: 't433' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:794:29: +note: 't465' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: - 794 | t146 = t43*t91 - | ^ -Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:71: + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't464' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:71: - 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: +note: 't464' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't429' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:66: + 708 | t41*t328*t466 + | ^ +Warning: 't463' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:65: - 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't429' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't463' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't428' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:60: + 708 | t41*t328*t466 + | ^ +Warning: 't462' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:59: - 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't428' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't462' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't427' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:54: + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't460' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:53: - 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't427' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't460' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:415:59: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't425' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:48: + 415 | *t52 - 0.5000000001e0_dp*t41*t172*t46 + | ^ +Warning: 't46' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:47: - 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't425' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't46' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't424' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:42: + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't457' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:42: - 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ -note: 't424' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1114:39: +note: 't457' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: - 1114 | *t841 - t187*t851 - | ^ -Warning: 't420' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:36: + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't455' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:36: - 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ -note: 't420' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:836:75: +note: 't455' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:745:57: - 836 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc - | ^ -Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:30: + 745 | + 0.5999999999e1_dp*t128*t132*t529 + | ^ +Warning: 't452' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:30: - 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't452' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: + + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't451' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:24: + + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't451' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:370:49: + + 370 | t103 = EXP(-0.9000000000e1_dp*t44) + | ^ +Warning: 't44' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:18: + + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't44' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + + 775 | *t36*t38*t1396 + | ^ +Warning: 't435' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:13: + + 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't435' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:384:34: + + 384 | t130 = t128*t43*t94 + | ^ +Warning: 't43' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:93: + + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + + 775 | *t36*t38*t1396 + | ^ +Warning: 't429' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:88: + + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't429' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: + + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't428' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:82: + + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't428' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:386:30: + + 386 | t133 = t42*t132 | ^ +Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:76: + + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ note: 't42' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1114:39: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1114 | *t841 - t187*t851 - | ^ + 775 | *t36*t38*t1396 + | ^ +Warning: 't418' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:71: + + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't418' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: + + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't417' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:65: + + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't417' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: + + 775 | *t36*t38*t1396 + | ^ Warning: 't413' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:25: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:59: - 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ note: 't413' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1114:39: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:535:30: - 1114 | *t841 - t187*t851 - | ^ -Warning: 't412' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:675:19: + 535 | t489 = t41*t135 + | ^ +Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:47: - 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't412' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1089:31: + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: - 1089 | t758 = t509*t407 - | ^ -Warning: 't407' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:95: + 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't408' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:42: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't407' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1094:41: + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't408' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: - 1094 | t800 = t500/t405/t178*t798 - | ^ + 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ Warning: 't405' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:89: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:36: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ note: 't405' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: - 1144 | *t389*t573*t748 - | ^ + 784 | t98*t1400 + | ^ Warning: 't404' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:83: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:30: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ note: 't404' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: - 1144 | *t389*t573*t748 - | ^ -Warning: 't403' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:77: + 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't401' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:24: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't403' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1116:35: + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't401' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: - 1116 | t863 = 0.1e1_dp/t400 - | ^ + 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ Warning: 't400' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:65: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:18: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ note: 't400' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1039:46: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:383:30: - 1039 | t613 = t4**(-0.2333333333e1_dp) - | ^ -Warning: 't4' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:59: + 383 | t128 = t40*t127 + | ^ +Warning: 't40' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:12: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: + 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't40' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: - 1144 | *t389*t573*t748 - | ^ -Warning: 't394' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:49: + 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't397' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:93: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't394' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't397' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: - 1144 | *t389*t573*t748 - | ^ -Warning: 't390' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:37: + 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't393' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:87: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't390' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't393' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:389:29: - 1144 | *t389*t573*t748 - | ^ -Warning: 't389' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:31: + 389 | t137 = t39*t94 + | ^ +Warning: 't39' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:81: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't389' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: - 1144 | *t389*t573*t748 - | ^ -Warning: 't382' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:19: + 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't384' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:76: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't382' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't384' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: - 1144 | *t389*t573*t748 - | ^ -Warning: 't381' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:674:13: + 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't383' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:70: - 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't381' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't383' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - 1144 | *t389*t573*t748 - | ^ -Warning: 't380' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:95: + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't382' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:64: - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't380' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:908:60: + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't382' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:488:68: - 908 | *t325*t287)*t38) - | ^ + 488 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 + | ^ Warning: 't38' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:89: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:58: - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ note: 't38' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: - 1144 | *t389*t573*t748 - | ^ + 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ Warning: 't377' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:84: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:53: - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ note: 't377' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: - 1144 | *t389*t573*t748 - | ^ -Warning: 't376' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:78: + 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't372' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:47: - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't376' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't372' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:517:30: - 1144 | *t389*t573*t748 - | ^ -Warning: 't373' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:72: + 517 | t435 = t37*t196 + | ^ +Warning: 't37' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:41: - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't373' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1107:62: + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: - 1107 | *t368*t509 - 0.9531842928e0_dp*t162*t522 - | ^ + 784 | t98*t1400 + | ^ Warning: 't368' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:66: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:36: - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ note: 't368' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1099:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: - 1099 | t814 = t92*t365 - | ^ + 784 | t98*t1400 + | ^ Warning: 't365' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:60: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:30: - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ note: 't365' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - - 1144 | *t389*t573*t748 - | ^ -Warning: 't364' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:54: - - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't364' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - - 1144 | *t389*t573*t748 - | ^ -Warning: 't363' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:48: - - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't363' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - - 1144 | *t389*t573*t748 - | ^ -Warning: 't357' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:37: - - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't357' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: - 1144 | *t389*t573*t748 - | ^ -Warning: 't356' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:31: + 784 | t98*t1400 + | ^ +Warning: 't36' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:24: - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't356' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1098:31: + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:594:30: - 1098 | t810 = t353*t509 - | ^ -Warning: 't353' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:19: + 594 | t601 = t27*t358 + | ^ +Warning: 't358' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:19: - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ -note: 't353' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: +note: 't358' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: - 1176 | + t489)*sc - | ^ -Warning: 't352' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:673:13: + 652 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't354' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:13: - 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ -note: 't352' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: +note: 't354' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ + 708 | t41*t328*t466 + | ^ Warning: 't351' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:96: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:96: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: 't351' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ -Warning: 't350' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:90: + 708 | t41*t328*t466 + | ^ +Warning: 't347' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:90: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ -note: 't350' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1084:31: - - 1084 | t743 = t349*t202 - | ^ -Warning: 't349' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:84: - - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ -note: 't349' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: +note: 't347' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: - 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ + 637 | REAL(t46, KIND=dp) + | ^ Warning: 't346' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:78: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:84: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ note: 't346' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1153:89: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 1153 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ + 708 | t41*t328*t466 + | ^ Warning: 't343' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:72: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:78: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ note: 't343' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: - - 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't342' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:66: - - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ -note: 't342' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ + 708 | t41*t328*t466 + | ^ Warning: 't339' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:60: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:67: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ note: 't339' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1165:106: - - 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ -Warning: 't337' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:54: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ -note: 't337' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1153:89: + 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't335' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:61: - 1153 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ -Warning: 't334' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:48: + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't335' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ -note: 't334' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: + 637 | REAL(t46, KIND=dp) + | ^ +Warning: 't330' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:55: - 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't333' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:42: + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't330' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ -note: 't333' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1146:35: + 708 | t41*t328*t466 + | ^ +Warning: 't328' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:49: - 1146 | t953 = 0.3e1_dp*t332 - | ^ -Warning: 't332' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:36: + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't328' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 708 | t41*t328*t466 | ^ -note: 't332' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: +Warning: 't326' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:43: - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't326' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: + + 652 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ Warning: 't325' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:37: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ note: 't325' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:694:38: - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't324' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:24: + 694 | *t128*t323*t172 + | ^ +Warning: 't323' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:31: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ -note: 't324' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:789:30: + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't323' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: - 789 | t136 = t32*t114 - | ^ -Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:18: + 652 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't321' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:25: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't321' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ + 652 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ Warning: 't319' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:672:13: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:19: - 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ note: 't319' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ + 652 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ Warning: 't316' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:94: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:13: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ + 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ note: 't316' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't315' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:88: - - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't315' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: - - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't311' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:82: - - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't311' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't310' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:76: + 775 | *t36*t38*t1396 + | ^ +Warning: 't313' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:97: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't310' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't313' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't309' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:70: + 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't312' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:91: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't309' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't312' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:457:31: - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't307' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:64: + 457 | *t30*t281 + | ^ +Warning: 't31' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:79: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't307' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:716:76: - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't306' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:58: + 716 | + t1136) + | ^ +Warning: 't304' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:74: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't306' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1051:39: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't304' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:375:26: - 1051 | *t531 - t130*t549 - | ^ -Warning: 't302' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:52: + 375 | t109 + | ^ +Warning: 't30' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:68: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't302' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:831:32: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:460:28: - 831 | t206 = -t3 - t146 - | ^ + 460 | t293 = t3*t55 + | ^ Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:46: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:63: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ note: 't3' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't299' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:42: - - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't299' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't296' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:36: + 775 | *t36*t38*t1396 + | ^ +Warning: 't297' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:59: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't296' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1043:31: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't297' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1043 | t693 = t295*t508 - | ^ -Warning: 't295' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:30: + 775 | *t36*t38*t1396 + | ^ +Warning: 't293' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:53: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't295' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1051:39: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't293' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:425:38: - 1051 | *t531 - t130*t549 - | ^ -Warning: 't292' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:24: + 425 | t211 = my_rho*t29*omega + | ^ +Warning: 't29' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:47: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't292' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1051:39: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1051 | *t531 - t130*t549 - | ^ -Warning: 't291' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:671:18: + 775 | *t36*t38*t1396 + | ^ +Warning: 't289' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:42: - 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't291' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1034:31: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't289' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: - 1034 | t589 = t509*t286 - | ^ -Warning: 't286' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:90: + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't285' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:36: - 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't286' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1038:41: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't285' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: - 1038 | t603 = t500/t284/t119*t601 - | ^ + 652 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ Warning: 't284' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:84: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:30: - 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ note: 't284' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't283' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:78: - - 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't283' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't282' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:72: - - 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't282' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1035:29: - - 1035 | t595 = t279**2 - | ^ -Warning: 't279' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:60: - - 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't279' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't273' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:48: - - 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't273' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:785:29: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: - 785 | t130 = t27*t96 - | ^ -Warning: 't27' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:36: + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't281' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:24: - 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't281' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:372:30: - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't269' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:31: + 372 | t105 = t28*t104 + | ^ +Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:18: - 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't269' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't268' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:25: + 775 | *t36*t38*t1396 + | ^ +Warning: 't271' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:13: - 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't268' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: + 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't271' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't261' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:670:13: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't270' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:94: - 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't261' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't270' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't260' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:97: + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't265' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:83: - 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't260' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1041:39: + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't265' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: - 1041 | t665 = t26**(-0.40e1_dp) - | ^ -Warning: 't26' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:91: + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't264' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:77: - 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't264' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: - 1078 | *bp*t625*t565*t559 - | ^ + 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ Warning: 't259' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:86: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:66: - 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ note: 't259' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: - 1144 | *t389*t573*t748 - | ^ + 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ Warning: 't258' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:80: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:60: - 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ note: 't258' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - 1078 | *bp*t625*t565*t559 - | ^ + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ Warning: 't255' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:74: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:54: - 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ note: 't255' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - 1078 | *bp*t625*t565*t559 - | ^ + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ Warning: 't254' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:68: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:48: - 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ note: 't254' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - 1078 | *bp*t625*t565*t559 - | ^ + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ Warning: 't251' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:62: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:42: - 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ note: 't251' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1026:62: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: - 1026 | *t246*t509 - 0.9531842928e0_dp*t102*t522 - | ^ -Warning: 't246' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:51: + 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't250' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:36: - 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't246' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1114:39: + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't250' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: - 1114 | *t841 - t187*t851 - | ^ + 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ Warning: 't245' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:45: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:30: - 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ note: 't245' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't241' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:669:27: + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't244' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:24: - 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't241' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1022:49: + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't244' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - 1022 | t538 = 0.1211413728e1_dp*t240*t508 - | ^ -Warning: 't240' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:72: + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't241' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:18: - 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't240' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:908:60: + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't241' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: - 908 | *t325*t287)*t38) - | ^ + 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ Warning: 't24' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:66: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:12: - 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ + 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ note: 't24' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1013:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - 1013 | t513 = t92*t237 - | ^ + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ Warning: 't237' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:61: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:97: - 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ note: 't237' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: - - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't236' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:55: - - 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't236' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't235' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:49: + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't233' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:91: - 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't235' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1100:31: + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't233' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - 1100 | t820 = t231*t165 - | ^ -Warning: 't231' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:43: + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't232' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:85: - 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't231' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't232' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: - 1176 | + t489)*sc - | ^ + 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ Warning: 't230' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:37: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:73: - 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ note: 't230' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:371:34: - 1078 | *bp*t625*t565*t559 - | ^ + 371 | t104 = 0.1e1_dp/t23 + | ^ +Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:67: + + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: + + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ Warning: 't226' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:62: - 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ note: 't226' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: - 1078 | *bp*t625*t565*t559 - | ^ + 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ Warning: 't225' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:25: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:56: - 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ note: 't225' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1096:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: - 1096 | t807 = t222*t165 - | ^ + 673 | *t244*my_ndrho/t657/t7*t669) + | ^ Warning: 't222' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:668:13: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:50: - 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ note: 't222' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1176:50: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:599:30: - 1176 | + t489)*sc - | ^ + 599 | t628 = t221*t76 + | ^ Warning: 't221' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:94: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:44: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ note: 't221' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1005:39: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:350:37: - 1005 | t499 = 0.1e1_dp/t220/t90 - | ^ -Warning: 't220' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:88: + 350 | t68 = my_rho*t22*omega + | ^ +Warning: 't22' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:38: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't220' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1012:31: + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't22' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:613:63: - 1012 | t510 = t217*t509 - | ^ -Warning: 't217' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:70: + 613 | /t69*t669) + | ^ +Warning: 't219' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:33: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't217' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1009:35: + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't219' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: - 1009 | t505 = t216*t96*t504 - | ^ + 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ Warning: 't216' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:64: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:27: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ + 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ note: 't216' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:999:102: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: - 999 | e_bb(ip) = e_bb(ip) + ((t332 + t489 + t490 + t452)*t2 + t455 + 0.2e1_dp*t213 + t457)*sc - | ^ + 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ Warning: 't213' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:58: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:70: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ note: 't213' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1157:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: - 1157 | t986 = t212*t451 - | ^ + 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ Warning: 't212' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:52: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:64: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ note: 't212' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: - 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't209' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:41: + 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't211' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:58: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't209' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1184:101: + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't211' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:463:30: - 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't206' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:35: + 463 | t311 = t126*t21 + | ^ +Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:52: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't206' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:975:35: + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: - 975 | t457 = 0.2e1_dp*t203 - | ^ -Warning: 't203' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:29: + 784 | t98*t1400 + | ^ +Warning: 't207' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:47: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't203' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1156:40: + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't207' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:494:30: - 1156 | t984 = 0.2e1_dp*t470*t202 - | ^ -Warning: 't202' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:23: + 494 | t365 = t27*t200 + | ^ +Warning: 't200' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:41: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't202' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:836:75: + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't200' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:577:29: - 836 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc - | ^ + 577 | t576 = t2*t501 + | ^ Warning: 't2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:17: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:35: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ note: 't2' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't194' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:667:13: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:544:70: - 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't194' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:963:31: + 544 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ +Warning: 't196' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:31: - 963 | t437 = t193*t245 + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ -Warning: 't193' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:96: - - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't193' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1128:51: - - 1128 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't191' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:90: - - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't191' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:957:31: +note: 't196' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 957 | t425 = t424*t190 - | ^ + 708 | t41*t328*t466 + | ^ Warning: 't190' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:84: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:25: - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ note: 't190' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:959:31: - - 959 | t428 = t189*t427 - | ^ -Warning: 't189' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:73: - - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't189' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:956:43: - - 956 | t420*t365 - t187*t373 - | ^ -Warning: 't187' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:67: - - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't187' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1114:39: - - 1114 | *t841 - t187*t851 - | ^ -Warning: 't184' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:61: - - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't184' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:943:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 943 | t397 = t231*t179 - | ^ -Warning: 't179' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:43: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't186' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:19: - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't179' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1094:41: + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't186' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 1094 | t800 = t500/t405/t178*t798 - | ^ -Warning: 't178' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:37: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't185' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:13: - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't178' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1093:29: + 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't185' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:407:59: - 1093 | t798 = t176**2 - | ^ -Warning: 't176' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:31: + 407 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 + | ^ +Warning: 't18' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:96: - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't176' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't18' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 1144 | *t389*t573*t748 - | ^ -Warning: 't175' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:25: + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't177' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:91: - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't175' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:942:31: + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't177' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:549:69: - 942 | t394 = t174*t245 - | ^ -Warning: 't174' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:666:19: + 549 | *t24*t98*t496)*sx + | ^ +Warning: 't173' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:79: - 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't174' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1117:40: + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't173' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:586:35: - 1117 | t872 = 0.1e1_dp/t400/t172 - | ^ + 586 | *t36*t38*t586 + | ^ Warning: 't172' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:95: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:73: - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ note: 't172' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:353:28: - 1144 | *t389*t573*t748 - | ^ + 353 | t72 = t71*t17 + | ^ +Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:67: + + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:562:41: + + 562 | - 0.20e1_dp*t6*t526 + | ^ Warning: 't169' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:89: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:62: - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ note: 't169' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:935:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:497:31: - 935 | t380 = t168*t258 + 497 | t377 = t225*t168 | ^ Warning: 't168' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:83: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:56: - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ note: 't168' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:972:67: - - 972 | *t443*t408)*t80) - t332 - | ^ -Warning: 't165' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:77: - - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't165' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1107:62: - - 1107 | *t368*t509 - 0.9531842928e0_dp*t162*t522 - | ^ -Warning: 't162' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:71: - - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't162' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - - 1144 | *t389*t573*t748 - | ^ -Warning: 't161' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:65: - - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't161' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:923:30: - - 923 | t356 = t88*t160 - | ^ -Warning: 't160' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:59: - - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't160' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:878:39: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:434:38: - 878 | t281 = 0.1e1_dp/t279/t16 - | ^ + 434 | t230 = 0.1e1_dp/t75/t16 + | ^ Warning: 't16' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:53: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:50: - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ note: 't16' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1102:29: - - 1102 | t835 = t159**2 - | ^ -Warning: 't159' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:48: - - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't159' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1144:37: - - 1144 | *t389*t573*t748 - | ^ -Warning: 't156' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:42: - - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't156' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:989:48: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:424:30: - 989 | + t213)*sc - | ^ + 424 | t207 = t27*t155 + | ^ Warning: 't155' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:36: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:38: - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ note: 't155' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1085:31: - - 1085 | t745 = t154*t451 - | ^ -Warning: 't154' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:30: - - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't154' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:981:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:488:68: - 981 | t464 = t342*t151 - | ^ + 488 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 + | ^ Warning: 't151' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:24: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:32: - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ note: 't151' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:982:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:539:82: - 982 | t467 = t150*t43 - | ^ -Warning: 't150' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:665:18: + 539 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 + | ^ +Warning: 't148' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:26: - 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't150' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:979:31: + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't148' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 979 | t458 = t333*t147 - | ^ + 708 | t41*t328*t466 + | ^ Warning: 't147' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:96: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:13: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ + 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ note: 't147' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:980:30: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: - 980 | t461 = t145*t43 - | ^ -Warning: 't145' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:84: + 708 | t41*t328*t466 + | ^ +Warning: 't146' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:87: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't145' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:974:35: + 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & + | ^ +note: 't146' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:539:82: - 974 | t455 = 0.2e1_dp*t144 + 539 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 + | ^ +Warning: 't143' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:67: + + 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & + | ^ +note: 't143' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:476:35: + + 476 | t343 = t141*t135*t46 | ^ -Warning: 't144' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:78: +Warning: 't141' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:54: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't144' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: + 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & + | ^ +note: 't141' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ + 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't140' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:27: + + 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & + | ^ +note: 't140' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: + + 637 | REAL(t46, KIND=dp) + | ^ Warning: 't137' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:67: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:96: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ + 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ note: 't137' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:899:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: - 899 | t319 = t136*t245 - | ^ + 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ Warning: 't136' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:61: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:90: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ + 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ note: 't136' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1062:51: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:535:30: - 1062 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't134' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:55: + 535 | t489 = t41*t135 + | ^ +Warning: 't135' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:84: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't134' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:893:31: + 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't135' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:450:69: - 893 | t307 = t306*t133 - | ^ + 450 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 + | ^ Warning: 't133' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:49: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:57: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ + 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ note: 't133' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:895:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:745:57: - 895 | t310 = t132*t309 - | ^ + 745 | + 0.5999999999e1_dp*t128*t132*t529 + | ^ Warning: 't132' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:51: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ + 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ note: 't132' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:892:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:450:69: - 892 | t302*t237 - t130*t251 - | ^ + 450 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 + | ^ Warning: 't130' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:37: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:45: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ + 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ note: 't130' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:972:67: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:468:35: - 972 | *t443*t408)*t80) - t332 - | ^ + 468 | t321 = t128*t43*t258 + | ^ +Warning: 't128' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:32: + + 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't128' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:530:30: + + 530 | t473 = t94*t127 + | ^ Warning: 't127' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:26: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ + 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ note: 't127' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:888:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:463:30: - 888 | t299 = t126*t230 - | ^ + 463 | t311 = t126*t21 + | ^ Warning: 't126' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:25: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:20: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ + 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ note: 't126' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1051:39: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:544:70: - 1051 | *t531 - t130*t549 - | ^ -Warning: 't125' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:664:19: + 544 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ +Warning: 't122' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:92: - 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:876:31: + 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & + | ^ +note: 't122' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:405:67: - 876 | t276 = t231*t120 - | ^ -Warning: 't120' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:91: + 405 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 + | ^ +Warning: 't12' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:86: - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't120' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1038:41: + 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:488:68: - 1038 | t603 = t500/t284/t119*t601 - | ^ -Warning: 't119' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:85: + 488 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 + | ^ +Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:81: - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1037:29: + 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1037 | t601 = t117**2 - | ^ + 775 | *t36*t38*t1396 + | ^ Warning: 't117' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:79: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:68: - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ + 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & + | ^ note: 't117' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: - 1078 | *bp*t625*t565*t559 - | ^ + 784 | t98*t1400 + | ^ Warning: 't116' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:73: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:48: - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ + 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & + | ^ note: 't116' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:875:31: - - 875 | t273 = t115*t245 - | ^ -Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:67: - - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1028:40: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: - 1028 | t563 = 0.1e1_dp/t279/t113 - | ^ + 775 | *t36*t38*t1396 + | ^ Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:55: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:96: - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ + 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ note: 't113' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1078:40: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: - 1078 | *bp*t625*t565*t559 - | ^ -Warning: 't110' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:49: + 687 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't112' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:90: - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:758:28: + 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ +note: 't112' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: - 758 | t89 = t88*t11 - | ^ + 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ Warning: 't11' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:43: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:77: - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ + 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ note: 't11' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:866:31: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:515:66: - 866 | t255 = t254*t109 - | ^ + 515 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172 + | ^ Warning: 't109' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:38: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:65: - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ + 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ note: 't109' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:868:31: - - 868 | t259 = t108*t258 - | ^ -Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:32: - - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:908:60: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:586:35: - 908 | *t325*t287)*t38) - | ^ + 586 | *t36*t38*t586 + | ^ Warning: 't105' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:26: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:52: - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ + 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ note: 't105' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:1026:62: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:595:39: - 1026 | *t246*t509 - 0.9531842928e0_dp*t102*t522 - | ^ -Warning: 't102' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:663:13: + 595 | t605 = my_rho*t104*omega + | ^ +Warning: 't104' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:39: - 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:885:31: + 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ +note: 't104' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:586:35: - 885 | t292 = t291*t101 - | ^ -Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:662:85: + 586 | *t36*t38*t586 + | ^ +Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:33: - 662 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:792:82: + 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:405:67: - 792 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38) - | ^ + 405 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 + | ^ Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F:662:73: +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:266:83: - 662 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & - | ^ + 266 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & + | ^ note: 't10' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_vwn.mod' due to: xc_vwn.o /build/reproducible-path/cp2k-8.1/src/xc/xc_vwn.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_input_constants.mod base_hooks.mod xc_functionals_utilities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_cs1.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_cs1.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod base_hooks.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_cs1.F xc_cs1.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_cs1.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_cs1.mod' due to: xc_cs1.o /build/reproducible-path/cp2k-8.1/src/xc/xc_cs1.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod base_hooks.mod xc_functionals_utilities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_tfw.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_tfw.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod base_hooks.mod xc_functionals_utilities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_tfw.F xc_tfw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_tfw.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_tfw.mod' due to: xc_tfw.o /build/reproducible-path/cp2k-8.1/src/xc/xc_tfw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod xc_rho_cflags_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kinds.mod cp_array_utils.mod base_hooks.mod xc_functionals_utilities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_tpss.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_tpss.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod cp_log_handling.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_tpss.F xc_tpss.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_tpss.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_tpss.mod' due to: xc_tpss.o /build/reproducible-path/cp2k-8.1/src/xc/xc_tpss.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod cp_log_handling.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xbr_pbe_lda_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod xc_xbecke_roussel.mod xc_xpbe_hole_t_c_lr.mod xc_xlda_hole_t_c_lr.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_xbr_pbe_lda_hole_t_c_lr.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbr_pbe_lda_hole_t_c_lr.mod' due to: xc_xbr_pbe_lda_hole_t_c_lr.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod xc_xbecke_roussel.mod xc_xpbe_hole_t_c_lr.mod xc_xlda_hole_t_c_lr.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:417:69: + + 417 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 + | ^ +Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:266:78: + + 266 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xbecke88_long_range.mod' due to: xc_xbecke88_long_range.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xbecke88_long_range.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_pbe.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_input_constants.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F xc_pbe.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_pbe.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1923:38: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_lyp_adiabatic.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_lyp_adiabatic.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: - 1923 | t477 = 0.1e1_dp/t475*mu + 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) + | ^ +Warning: 't96' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:91: + + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't96' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: + + 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) + | ^ +Warning: 't95' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:86: + + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: + + 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) + | ^ +Warning: 't94' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:81: + + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:600:40: + + 600 | t250 = 4*t18*t78*t141*t91 + | ^ +Warning: 't91' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:76: + + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: + + 619 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't90' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:71: + + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:592:37: + + 592 | t216 = 0.1e1_dp/t77/t9 + | ^ +Warning: 't9' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:66: + + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:597:59: + + 597 | t231 = t14*t223*t225*lambda*t17*t87/0.3e1_dp + | ^ +Warning: 't87' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:62: + + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: + + 619 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't86' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:57: + + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:569:38: + + 569 | t153 = 0.1e1_dp/t21/t84 | ^ -Warning: 'mu' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1524:25: +Warning: 't84' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:47: - 1524 | kf_brhobrhob, mu - | ^ -note: 'mu' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1735:51: + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:631:108: - 1735 | Fx_b = 0.1e1_dp + kappa - kappa/t153 - | ^ -Warning: 'kappa' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1523:42: + 631 | - t300 - 0.1111111111e0_dp*t115*t316) + | ^ +Warning: 't80' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:37: - 1523 | k_s1rhob, k_srhoa, k_srhob, kappa, kf_a, kf_arhoa, kf_arhoarhoa, kf_b, kf_brhob, & + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:606:42: + + 606 | t280 = t102*t169*t78*lambda | ^ -note: 'kappa' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1692:31: +Warning: 't78' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:32: - 1692 | t101 = beta*t100 + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't78' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:592:37: + + 592 | t216 = 0.1e1_dp/t77/t9 + | ^ +Warning: 't77' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:27: + + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't77' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:605:31: + + 605 | t276 = d*t76*t10 | ^ -Warning: 'beta' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1512:24: +Warning: 't76' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:22: - 1512 | Arhobrhob, beta, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, & - | ^ -note: 'beta' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1108:55: + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:593:71: - 1108 | t1385 = 0.1e1_dp/t1380*t469*mu*t101*s - | ^ -Warning: 'mu' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:431:24: + 593 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103 + | ^ +Warning: 't74' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:17: - 431 | kfrhorhorho, mu, my_norm_drho, my_rho, p_1, p_2, rs, rs2rho, rsrho, rsrhorho, & - | ^ -note: 'mu' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:1109:34: + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: - 1109 | t1386 = kappa**2 - | ^ -Warning: 'kappa' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:430:66: + 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) + | ^ +Warning: 't73' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:12: - 430 | k_s1rhorho, k_s2rho, k_srho, k_srho1rho, k_srhorho, kappa, kf, kf2rho, kfrho, kfrhorho, & + 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't73' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:599:66: + + 599 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103 | ^ -note: 'kappa' was declared here -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:956:34: +Warning: 't67' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:90: - 956 | t879 = beta/t877 - | ^ -Warning: 'beta' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F:423:25: + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't67' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:639:61: - 423 | Arhorhorho, beta, beta_1_1, beta_2_1, beta_3_1, beta_4_1, e_c_u_0, e_c_u_01rho, & - | ^ -note: 'beta' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_pbe.mod' due to: xc_pbe.o /build/reproducible-path/cp2k-8.1/src/xc/xc_pbe.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod xc_input_constants.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_derivatives.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_derivatives.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod xc_rho_set_types.mod xc_derivative_set_types.mod input_section_types.mod kinds.mod xc_perdew_wang.mod xc_xbecke88.mod xc_xbecke88_lr_adiabatic.mod xc_xwpbe.mod xc_lyp.mod xc_exchange_gga.mod xc_ke_gga.mod xc_xbecke_roussel.mod xc_xbeef.mod xc_pade.mod xc_libxc.mod xc_sr_lda.mod xc_xlda_hole_t_c_lr.mod base_hooks.mod xc_b97.mod xc_perdew_zunger.mod xc_xpbe_hole_t_c_lr.mod xc_lyp_adiabatic.mod xc_perdew86.mod xc_xalpha.mod xc_hcth.mod xc_optx.mod xc_thomas_fermi.mod xc_xbecke88_long_range.mod xc_vwn.mod xc_cs1.mod xc_tfw.mod xc_tpss.mod xc_xbr_pbe_lda_hole_t_c_lr.mod xc_pbe.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_derivatives.F xc_derivatives.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_derivatives.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_derivatives.mod' due to: xc_derivatives.o /build/reproducible-path/cp2k-8.1/src/xc/xc_derivatives.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod xc_rho_set_types.mod xc_derivative_set_types.mod input_section_types.mod kinds.mod xc_perdew_wang.mod xc_xbecke88.mod xc_xbecke88_lr_adiabatic.mod xc_xwpbe.mod xc_lyp.mod xc_exchange_gga.mod xc_ke_gga.mod xc_xbecke_roussel.mod xc_xbeef.mod xc_pade.mod xc_libxc.mod xc_sr_lda.mod xc_xlda_hole_t_c_lr.mod base_hooks.mod xc_b97.mod xc_perdew_zunger.mod xc_xpbe_hole_t_c_lr.mod xc_lyp_adiabatic.mod xc_perdew86.mod xc_xalpha.mod xc_hcth.mod xc_optx.mod xc_thomas_fermi.mod xc_xbecke88_long_range.mod xc_vwn.mod xc_cs1.mod xc_tfw.mod xc_tpss.mod xc_xbr_pbe_lda_hole_t_c_lr.mod xc_pbe.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_parsing.mod' due to: input_parsing.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_check.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_check.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod input_val_types.mod input_keyword_types.mod kinds.mod input_parsing.mod cp_units.mod cp_log_handling.mod memory_utilities.mod xc_input_constants.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_check.F input_cp2k_check.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_check.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_check.mod' due to: input_cp2k_check.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_check.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod input_val_types.mod input_keyword_types.mod kinds.mod input_parsing.mod cp_units.mod cp_log_handling.mod memory_utilities.mod xc_input_constants.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_output.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod kinds.mod cp_files.mod xc_derivatives.mod xc_libxc.mod periodic_table.mod base_hooks.mod atom_utils.mod input_cp2k_check.mod mathconstants.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_output.F atom_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_output.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_output.mod' due to: atom_output.o /build/reproducible-path/cp2k-8.1/src/atom_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod kinds.mod cp_files.mod xc_derivatives.mod xc_libxc.mod periodic_table.mod base_hooks.mod atom_utils.mod input_cp2k_check.mod mathconstants.mod input_constants.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_optimization.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_optimization.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atom_types.mod kinds.mod base_hooks.mod lapack.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_optimization.F atom_optimization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_optimization.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_optimization.mod' due to: atom_optimization.o /build/reproducible-path/cp2k-8.1/src/atom_optimization.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atom_types.mod kinds.mod base_hooks.mod lapack.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod xc_rho_set_types.mod xc_derivative_types.mod xc_derivative_set_types.mod input_section_types.mod pw_pool_types.mod pw_types.mod kinds.mod message_passing.mod xc_input_constants.mod xc_derivatives.mod xc_derivative_desc.mod base_hooks.mod cp_linked_list_xc_deriv.mod pw_methods.mod cp_log_handling.mod kahan_sum.mod cp_array_utils.mod pw_spline_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc.F xc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc.F90 -/build/reproducible-path/cp2k-8.1/src/xc/xc.F:1558:22: + 639 | *t355) + REAL(2*t65*my_ndrhoa, dp) + | ^ +Warning: 't65' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:85: - 1558 | IF (dealloc_pw_to_deriv) THEN - | ^ -Warning: 'dealloc_pw_to_deriv' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc.mod' due to: xc.o /build/reproducible-path/cp2k-8.1/src/xc/xc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod xc_rho_set_types.mod xc_derivative_types.mod xc_derivative_set_types.mod input_section_types.mod pw_pool_types.mod pw_types.mod kinds.mod message_passing.mod xc_input_constants.mod xc_derivatives.mod xc_derivative_desc.mod base_hooks.mod cp_linked_list_xc_deriv.mod pw_methods.mod cp_log_handling.mod kahan_sum.mod cp_array_utils.mod pw_spline_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod pw_pool_types.mod input_section_types.mod pw_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod cp_linked_list_xc_deriv.mod xc_derivatives.mod xc.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_atom.F xc_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_atom.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_atom.mod' due to: xc_atom.o /build/reproducible-path/cp2k-8.1/src/xc/xc_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod pw_pool_types.mod input_section_types.mod pw_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod kinds.mod cp_linked_list_xc_deriv.mod xc_derivatives.mod xc.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_xc.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_xc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod atom_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod xc_derivative_set_types.mod kinds.mod xc_atom.mod cp_files.mod xc_derivatives.mod base_hooks.mod atom_utils.mod mathconstants.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_xc.F atom_xc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_xc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_xc.mod' due to: atom_xc.o /build/reproducible-path/cp2k-8.1/src/atom_xc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod atom_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod xc_derivative_set_types.mod kinds.mod xc_atom.mod cp_files.mod xc_derivatives.mod base_hooks.mod atom_utils.mod mathconstants.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_electronic_structure.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod base_hooks.mod atom_utils.mod input_constants.mod atom_optimization.mod atom_xc.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F atom_electronic_structure.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_electronic_structure.F90 -/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:691:13: + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:647:61: - 691 | IF (need_xc) THEN - | ^ -Warning: 'need_xc' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:454:75: + 647 | *t387) + REAL(2*t63*my_ndrhob, dp) + | ^ +Warning: 't63' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:80: - 454 | need_x, need_xc - | ^ -note: 'need_xc' was declared here -/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:664:13: + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't63' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:561:41: - 664 | IF (need_x) THEN - | ^ -Warning: 'need_x' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:454:66: + 561 | t135 = 0.1e1_dp/t6/t19*t78 + | ^ +Warning: 't6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:70: - 454 | need_x, need_xc + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:627:67: + + 627 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 + | ^ +Warning: 't58' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:66: + + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ -note: 'need_x' was declared here -/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:342:13: +note: 't58' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:615:60: - 342 | IF (need_xc) THEN - | ^ -Warning: 'need_xc' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:137:75: + 615 | /0.3e1_dp*t285)*t55 + | ^ +Warning: 't55' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:61: - 137 | need_x, need_xc, need_zmp + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:639:61: + + 639 | *t355) + REAL(2*t65*my_ndrhoa, dp) + | ^ +Warning: 't51' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:56: + + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:568:51: + + 568 | t151 = t14*t146*t141*t67*t5/0.3e1_dp + | ^ +Warning: 't5' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:51: + + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:613:26: + + 613 | *t49 + | ^ +Warning: 't49' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:47: + + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:590:132: + + 590 | *my_rhoa + t196)*t48 + t200*t47 + | ^ +Warning: 't48' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:42: + + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:627:67: + + 627 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 + | ^ +Warning: 't47' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:37: + + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't47' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:639:61: + + 639 | *t355) + REAL(2*t65*my_ndrhoa, dp) + | ^ +Warning: 't46' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:32: + + 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't46' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:610:26: + + 610 | *t42 + | ^ +Warning: 't42' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:463:73: + + 463 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:653:103: + + 653 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp) + | ^ +Warning: 't41' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:463:68: + + 463 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:627:67: + + 627 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 + | ^ +Warning: 't32' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:463:12: + + 463 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:645:34: + + 645 | t387 = t3*my_ndrhob + | ^ +Warning: 't3' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:462:69: + + 462 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:590:132: + + 590 | *my_rhoa + t196)*t48 + t200*t47 + | ^ +Warning: 't28' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:462:41: + + 462 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:647:61: + + 647 | *t387) + REAL(2*t63*my_ndrhob, dp) + | ^ +Warning: 't25' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:461:76: + + 461 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: + + 619 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't24' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:461:65: + + 461 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & + | ^ +note: 't24' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: + + 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) + | ^ +Warning: 't23' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:461:48: + + 461 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:593:71: + + 593 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103 + | ^ +Warning: 't21' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:92: + + 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:584:46: + + 584 | t194 = 0.1333333333e1_dp*t2*t42 + | ^ +Warning: 't2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:75: + + 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & | ^ -note: 'need_xc' was declared here -/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:322:13: +note: 't2' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:653:103: - 322 | IF (need_x) THEN - | ^ -Warning: 'need_x' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:137:66: + 653 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp) + | ^ +Warning: 't19' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:53: - 137 | need_x, need_xc, need_zmp + 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: + + 619 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't18' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:24: + + 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & + | ^ +note: 't18' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:597:59: + + 597 | t231 = t14*t223*t225*lambda*t17*t87/0.3e1_dp + | ^ +Warning: 't17' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:459:88: + + 459 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:571:29: + + 571 | t162 = t15*t76 + | ^ +Warning: 't15' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:459:42: + + 459 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, & + | ^ +note: 't15' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: + + 619 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't119' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:49: + + 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:631:108: + + 631 | - t300 - 0.1111111111e0_dp*t115*t316) + | ^ +Warning: 't118' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:43: + + 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: + + 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) + | ^ +Warning: 't115' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:37: + + 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: + + 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) + | ^ +Warning: 't113' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:31: + + 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: + + 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) + | ^ +Warning: 't108' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:25: + + 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:599:66: + + 599 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103 | ^ -note: 'need_x' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_electronic_structure.mod' due to: atom_electronic_structure.o /build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod base_hooks.mod atom_utils.mod input_constants.mod atom_optimization.mod atom_xc.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_fit.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_fit.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod cp_files.mod atom_operators.mod periodic_table.mod powell.mod base_hooks.mod atom_electronic_structure.mod atom_utils.mod mathconstants.mod input_constants.mod lapack.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_fit.F atom_fit.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:08:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_fit.F90 -/build/reproducible-path/cp2k-8.1/src/atom_fit.F:1855:21: +Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:13: - 1855 | END FUNCTION rcpro - | ^ -Warning: 'yval' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/atom_fit.F:1838:40: + 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: - 1838 | FUNCTION rcpro(id, xval) RESULT(yval) - | ^ -note: 'yval' was declared here -/build/reproducible-path/cp2k-8.1/src/atom_fit.F:182:64: + 619 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:457:84: - 182 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob - | ^ -Warning: 'xtob.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_fit.mod' due to: atom_fit.o /build/reproducible-path/cp2k-8.1/src/atom_fit.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod cp_files.mod atom_operators.mod periodic_table.mod powell.mod base_hooks.mod atom_electronic_structure.mod atom_utils.mod mathconstants.mod input_constants.mod lapack.mod physcon.mod + 457 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:560:43: + + 560 | t132 = 0.40e1_dp*t1*t129*t10 + | ^ +Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:457:79: + + 457 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_lyp_adiabatic.mod' due to: xc_lyp_adiabatic.o /build/reproducible-path/cp2k-8.1/src/xc/xc_lyp_adiabatic.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod base_hooks.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_kind_orbitals.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_kind_orbitals.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod qs_kind_types.mod rel_control_types.mod input_section_types.mod atom_types.mod basis_set_types.mod ai_onecenter.mod kinds.mod atom_operators.mod atom_fit.mod base_hooks.mod mathconstants.mod physcon.mod atom_electronic_structure.mod input_constants.mod periodic_table.mod atom_utils.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_kind_orbitals.F atom_kind_orbitals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_kind_orbitals.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_kind_orbitals.mod' due to: atom_kind_orbitals.o /build/reproducible-path/cp2k-8.1/src/atom_kind_orbitals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod qs_kind_types.mod rel_control_types.mod input_section_types.mod atom_types.mod basis_set_types.mod ai_onecenter.mod kinds.mod atom_operators.mod atom_fit.mod base_hooks.mod mathconstants.mod physcon.mod atom_electronic_structure.mod input_constants.mod periodic_table.mod atom_utils.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_sr_lda.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_sr_lda.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.fypp input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod xc_input_constants.mod base_hooks.mod bibliography.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_sr_lda.F xc_sr_lda.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_sr_lda.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_sr_lda.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_sr_lda.mod' due to: xc_sr_lda.o /build/reproducible-path/cp2k-8.1/src/xc/xc_sr_lda.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/xc/xc_perdew_wang.fypp input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathconstants.mod kinds.mod xc_input_constants.mod base_hooks.mod bibliography.mod xc_functionals_utilities.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_oce_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod particle_types.mod sap_kind_types.mod block_p_types.mod qs_kind_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod ao_util.mod ai_overlap.mod orbital_transformation_matrices.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F qs_oce_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_oce_methods.F90 -/build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F:84:58: - - 84 | maxder, maxlb, maxlprj, maxnprja, maxsoa, msab, n, ncob, np_car, np_sph, nsatbas, nseta, & - | ^ -Warning: 'n' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F:548:40: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_xalpha.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_xalpha.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_xalpha.F xc_xalpha.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xalpha.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_xalpha.mod' due to: xc_xalpha.o /build/reproducible-path/cp2k-8.1/src/xc/xc_xalpha.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_cs1.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_cs1.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod xc_functionals_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_cs1.F xc_cs1.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_cs1.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_cs1.mod' due to: xc_cs1.o /build/reproducible-path/cp2k-8.1/src/xc/xc_cs1.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod kinds.mod base_hooks.mod xc_functionals_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_derivatives.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_derivatives.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_xbr_pbe_lda_hole_t_c_lr.mod xc_xbeef.mod xc_xbecke88_lr_adiabatic.mod xc_xpbe_hole_t_c_lr.mod xc_perdew_zunger.mod xc_optx.mod xc_xbecke88.mod xc_tpss.mod xc_tfw.mod xc_exchange_gga.mod xc_b97.mod xc_perdew86.mod xc_perdew_wang.mod xc_libxc.mod xc_xwpbe.mod xc_pbe.mod xc_thomas_fermi.mod kinds.mod base_hooks.mod xc_vwn.mod xc_hcth.mod xc_lyp.mod xc_ke_gga.mod xc_pade.mod xc_xbecke88_long_range.mod xc_lyp_adiabatic.mod xc_xbecke_roussel.mod xc_xlda_hole_t_c_lr.mod xc_sr_lda.mod xc_xalpha.mod xc_cs1.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_derivatives.F xc_derivatives.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_derivatives.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_derivatives.mod' due to: xc_derivatives.o /build/reproducible-path/cp2k-8.1/src/xc/xc_derivatives.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_xbr_pbe_lda_hole_t_c_lr.mod xc_xbeef.mod xc_xbecke88_lr_adiabatic.mod xc_xpbe_hole_t_c_lr.mod xc_perdew_zunger.mod xc_optx.mod xc_xbecke88.mod xc_tpss.mod xc_tfw.mod xc_exchange_gga.mod xc_b97.mod xc_perdew86.mod xc_perdew_wang.mod xc_libxc.mod xc_xwpbe.mod xc_pbe.mod xc_thomas_fermi.mod kinds.mod base_hooks.mod xc_vwn.mod xc_hcth.mod xc_lyp.mod xc_ke_gga.mod xc_pade.mod xc_xbecke88_long_range.mod xc_lyp_adiabatic.mod xc_xbecke_roussel.mod xc_xlda_hole_t_c_lr.mod xc_sr_lda.mod xc_xalpha.mod xc_cs1.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod pw_pool_types.mod pw_grid_types.mod pw_types.mod xc_derivative_types.mod cp_log_handling.mod message_passing.mod pw_methods.mod kahan_sum.mod cp_linked_list_xc_deriv.mod kinds.mod xc_input_constants.mod base_hooks.mod xc_derivative_desc.mod xc_derivatives.mod pw_spline_utils.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc.F xc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc.F90 +/build/reproducible-path/cp2k-8.1/src/xc/xc.F:1558:22: - 548 | clist%nsgf_cnt = nsgf_cnt - | ^ -Warning: 'nsgf_cnt' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_oce_methods.mod' due to: qs_oce_methods.o /build/reproducible-path/cp2k-8.1/src/qs_oce_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod particle_types.mod sap_kind_types.mod block_p_types.mod qs_kind_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod ao_util.mod ai_overlap.mod orbital_transformation_matrices.mod base_hooks.mod mathconstants.mod orbital_pointers.mod + 1558 | IF (dealloc_pw_to_deriv) THEN + | ^ +Warning: 'dealloc_pw_to_deriv' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc.mod' due to: xc.o /build/reproducible-path/cp2k-8.1/src/xc/xc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod pw_pool_types.mod pw_grid_types.mod pw_types.mod xc_derivative_types.mod cp_log_handling.mod message_passing.mod pw_methods.mod kahan_sum.mod cp_linked_list_xc_deriv.mod kinds.mod xc_input_constants.mod base_hooks.mod xc_derivative_desc.mod xc_derivatives.mod pw_spline_utils.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho_atom_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod cp_control_types.mod qs_environment_types.mod sap_kind_types.mod qs_rho_atom_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_oce_types.mod cp_para_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod spherical_harmonics.mod qs_harmonics_atom.mod util.mod base_hooks.mod mathconstants.mod qs_oce_methods.mod memory_utilities.mod whittaker.mod lebedev.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_rho_atom_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho_atom_methods.mod' due to: qs_rho_atom_methods.o /build/reproducible-path/cp2k-8.1/src/qs_rho_atom_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod cp_control_types.mod qs_environment_types.mod sap_kind_types.mod qs_rho_atom_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_oce_types.mod cp_para_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod spherical_harmonics.mod qs_harmonics_atom.mod util.mod base_hooks.mod mathconstants.mod qs_oce_methods.mod memory_utilities.mod whittaker.mod lebedev.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_vxc.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_vxc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod qs_rho_types.mod pw_pool_types.mod pw_env_types.mod qs_dispersion_types.mod cell_types.mod virial_types.mod qs_ks_types.mod pw_grids.mod qs_dispersion_nonloc.mod kinds.mod base_hooks.mod input_constants.mod pw_methods.mod xc.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_vxc.F qs_vxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_vxc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_vxc.mod' due to: qs_vxc.o /build/reproducible-path/cp2k-8.1/src/qs_vxc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod qs_rho_types.mod pw_pool_types.mod pw_env_types.mod qs_dispersion_types.mod cell_types.mod virial_types.mod qs_ks_types.mod pw_grids.mod qs_dispersion_nonloc.mod kinds.mod base_hooks.mod input_constants.mod pw_methods.mod xc.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_collocate_density.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_collocate_density.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod pw_env_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod pw_pool_types.mod task_list_types.mod realspace_grid_types.mod pw_types.mod lri_environment_types.mod basis_set_types.mod kinds.mod ao_util.mod cp_dbcsr_operations.mod orbital_pointers.mod gaussian_gridlevels.mod base_hooks.mod task_list_methods.mod grid_api.mod pw_methods.mod memory_utilities.mod input_constants.mod cube_utils.mod rs_pw_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_collocate_density.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_collocate_density.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod lri_environment_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod rs_pw_interface.mod ao_util.mod grid_api.mod task_list_methods.mod pw_methods.mod orbital_pointers.mod cube_utils.mod memory_utilities.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod gaussian_gridlevels.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_collocate_density.F qs_collocate_density.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_collocate_density.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_collocate_density.F90 /build/reproducible-path/cp2k-8.1/src/qs_collocate_density.F:1926:10: 1926 | IF (distributed_rs_grids) THEN | ^ Warning: 'distributed_rs_grids' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_collocate_density.mod' due to: qs_collocate_density.o /build/reproducible-path/cp2k-8.1/src/qs_collocate_density.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod pw_env_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod pw_pool_types.mod task_list_types.mod realspace_grid_types.mod pw_types.mod lri_environment_types.mod basis_set_types.mod kinds.mod ao_util.mod cp_dbcsr_operations.mod orbital_pointers.mod gaussian_gridlevels.mod base_hooks.mod task_list_methods.mod grid_api.mod pw_methods.mod memory_utilities.mod input_constants.mod cube_utils.mod rs_pw_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_collocate_density.mod' due to: qs_collocate_density.o /build/reproducible-path/cp2k-8.1/src/qs_collocate_density.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod lri_environment_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod rs_pw_interface.mod ao_util.mod grid_api.mod task_list_methods.mod pw_methods.mod orbital_pointers.mod cube_utils.mod memory_utilities.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod gaussian_gridlevels.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_compression.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_compression.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 lri_environment_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_compression.F lri_compression.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lri_compression.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_compression.mod' due to: lri_compression.o /build/reproducible-path/cp2k-8.1/src/lri_compression.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 lri_environment_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/xc/xc_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod pw_pool_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod cp_linked_list_xc_deriv.mod kinds.mod xc_derivatives.mod base_hooks.mod xc.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc/xc_atom.F xc_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/xc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_atom.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_atom.mod' due to: xc_atom.o /build/reproducible-path/cp2k-8.1/src/xc/xc_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod pw_pool_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod cp_linked_list_xc_deriv.mod kinds.mod xc_derivatives.mod base_hooks.mod xc.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_vxc_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod xc_derivative_set_types.mod qs_linres_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod qs_energy_types.mod paw_proj_set_types.mod cp_control_types.mod qs_local_rho_types.mod qs_environment_types.mod message_passing.mod util.mod qs_grid_atom.mod orbital_pointers.mod memory_utilities.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod xc_derivatives.mod input_constants.mod xc_atom.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F qs_vxc_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:19:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_vxc_atom.F90 +/build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F:318:105: + + 318 | ir, rho_nlcc(:, 1), rho_h, rho_s, rho_nlcc(:, 2), drho_h, drho_s) + | ^ +Warning: 'rho_nlcc.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F:113:75: + + 113 | REAL(dp), DIMENSION(:, :), POINTER :: rho_h, rho_nlcc, rho_s, weight + | ^ +Warning: 'rho_nlcc.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F:113:75: Warning: 'rho_nlcc.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F:113:75: Warning: 'rho_nlcc.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_vxc_atom.mod' due to: qs_vxc_atom.o /build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod xc_derivative_set_types.mod qs_linres_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod qs_energy_types.mod paw_proj_set_types.mod cp_control_types.mod qs_local_rho_types.mod qs_environment_types.mod message_passing.mod util.mod qs_grid_atom.mod orbital_pointers.mod memory_utilities.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod xc_derivatives.mod input_constants.mod xc_atom.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_fm_diag.mod' due to: cp_fm_diag.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'admm_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/admm_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod qs_force_types.mod molecule_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod distribution_1d_types.mod qs_energy_types.mod basis_set_types.mod qs_oce_types.mod paw_proj_set_types.mod cp_control_types.mod qs_rho_types.mod qs_local_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_oce_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_dbcsr_output.mod qs_ks_atom.mod task_list_methods.mod cp_dbcsr_cp2k_link.mod bibliography.mod qs_gapw_densities.mod qs_neighbor_lists.mod cp_output_handling.mod cp_gemm_interface.mod kinds.mod qs_overlap.mod qs_vxc.mod base_hooks.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_vxc_atom.mod input_constants.mod qs_rho_atom_methods.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/admm_methods.F admm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' admm_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'admm_methods.mod' due to: admm_methods.o /build/reproducible-path/cp2k-8.1/src/admm_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod qs_force_types.mod molecule_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod distribution_1d_types.mod qs_energy_types.mod basis_set_types.mod qs_oce_types.mod paw_proj_set_types.mod cp_control_types.mod qs_rho_types.mod qs_local_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_oce_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_dbcsr_output.mod qs_ks_atom.mod task_list_methods.mod cp_dbcsr_cp2k_link.mod bibliography.mod qs_gapw_densities.mod qs_neighbor_lists.mod cp_output_handling.mod cp_gemm_interface.mod kinds.mod qs_overlap.mod qs_vxc.mod base_hooks.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_vxc_atom.mod input_constants.mod qs_rho_atom_methods.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'construct_shg.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_int/construct_shg.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_int/construct_shg.F construct_shg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/reproducible-path/cp2k-8.1/src/shg_int/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' construct_shg.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'construct_shg.mod' due to: construct_shg.o /build/reproducible-path/cp2k-8.1/src/shg_int/construct_shg.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod mathconstants.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 's_contract_shg.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_int/s_contract_shg.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod gamma.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_int/s_contract_shg.F s_contract_shg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/reproducible-path/cp2k-8.1/src/shg_int/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' s_contract_shg.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 's_contract_shg.mod' due to: s_contract_shg.o /build/reproducible-path/cp2k-8.1/src/shg_int/s_contract_shg.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod gamma.mod mathconstants.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constants_operator.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_int/constants_operator.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_int/constants_operator.F constants_operator.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/reproducible-path/cp2k-8.1/src/shg_int/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constants_operator.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constants_operator.mod' due to: constants_operator.o /build/reproducible-path/cp2k-8.1/src/shg_int/constants_operator.F +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'generic_shg_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod base_hooks.mod orbital_pointers.mod construct_shg.mod s_contract_shg.mod constants_operator.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/shg_int/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' generic_shg_integrals.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'generic_shg_integrals.mod' due to: generic_shg_integrals.o /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod base_hooks.mod orbital_pointers.mod construct_shg.mod s_contract_shg.mod constants_operator.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_operators_r12.mod' due to: ai_operators_r12.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_overlap3.mod' due to: ai_overlap3.o true @@ -41279,9 +41191,9 @@ true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_overlap_aabb.mod' due to: ai_overlap_aabb.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'debug_os_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/debug_os_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod ai_overlap.mod ai_overlap_debug.mod ai_overlap3.mod ai_overlap3_debug.mod base_hooks.mod ai_overlap_aabb.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'debug_os_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/debug_os_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ai_overlap3.mod ai_overlap3_debug.mod ai_overlap_debug.mod kinds.mod base_hooks.mod orbital_pointers.mod ai_overlap.mod ai_overlap_aabb.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/debug_os_integrals.F debug_os_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' debug_os_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' debug_os_integrals.F90 /build/reproducible-path/cp2k-8.1/src/debug_os_integrals.F:46:36: 46 | SUBROUTINE overlap_ab_test_simple() @@ -41297,59 +41209,52 @@ 386 | SUBROUTINE overlap_aabb_test_simple() | ^ Warning: 'overlap_aabb_test_simple' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'debug_os_integrals.mod' due to: debug_os_integrals.o /build/reproducible-path/cp2k-8.1/src/debug_os_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod ai_overlap.mod ai_overlap_debug.mod ai_overlap3.mod ai_overlap3_debug.mod base_hooks.mod ai_overlap_aabb.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'debug_os_integrals.mod' due to: debug_os_integrals.o /build/reproducible-path/cp2k-8.1/src/debug_os_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ai_overlap3.mod ai_overlap3_debug.mod ai_overlap_debug.mod kinds.mod base_hooks.mod orbital_pointers.mod ai_overlap.mod ai_overlap_aabb.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_operator_ra2m.mod' due to: ai_operator_ra2m.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_contraction_sphi.mod' due to: ai_contraction_sphi.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_operators_r12.mod' due to: ai_operators_r12.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'generic_os_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/generic_os_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod debug_os_integrals.mod kinds.mod ai_operator_ra2m.mod ai_overlap.mod ai_derivatives.mod ai_contraction_sphi.mod base_hooks.mod ai_operators_r12.mod constants_operator.mod ai_overlap_aabb.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'generic_os_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/generic_os_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod ai_operators_r12.mod kinds.mod debug_os_integrals.mod base_hooks.mod ai_derivatives.mod orbital_pointers.mod ai_operator_ra2m.mod ai_overlap.mod ai_overlap_aabb.mod ai_contraction_sphi.mod constants_operator.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/generic_os_integrals.F generic_os_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' generic_os_integrals.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'generic_os_integrals.mod' due to: generic_os_integrals.o /build/reproducible-path/cp2k-8.1/src/generic_os_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod debug_os_integrals.mod kinds.mod ai_operator_ra2m.mod ai_overlap.mod ai_derivatives.mod ai_contraction_sphi.mod base_hooks.mod ai_operators_r12.mod constants_operator.mod ai_overlap_aabb.mod orbital_pointers.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' generic_os_integrals.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'generic_os_integrals.mod' due to: generic_os_integrals.o /build/reproducible-path/cp2k-8.1/src/generic_os_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod ai_operators_r12.mod kinds.mod debug_os_integrals.mod base_hooks.mod ai_derivatives.mod orbital_pointers.mod ai_operator_ra2m.mod ai_overlap.mod ai_overlap_aabb.mod ai_contraction_sphi.mod constants_operator.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 lri_environment_types.mod basis_set_types.mod kinds.mod generic_os_integrals.mod base_hooks.mod generic_shg_integrals.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod lri_environment_types.mod generic_shg_integrals.mod kinds.mod base_hooks.mod generic_os_integrals.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_integrals.F lri_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lri_integrals.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_integrals.mod' due to: lri_integrals.o /build/reproducible-path/cp2k-8.1/src/lri_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 lri_environment_types.mod basis_set_types.mod kinds.mod generic_os_integrals.mod base_hooks.mod generic_shg_integrals.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_integrals.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_integrals.mod' due to: lri_integrals.o /build/reproducible-path/cp2k-8.1/src/lri_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod lri_environment_types.mod generic_shg_integrals.mod kinds.mod base_hooks.mod generic_os_integrals.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_overlap_ppl.mod' due to: ai_overlap_ppl.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_forces.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_forces.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_force_types.mod kpoint_types.mod lri_environment_types.mod virial_types.mod qs_neighbor_list_types.mod qs_ks_types.mod qs_environment_types.mod qs_o3c_types.mod kinds.mod virial_methods.mod base_hooks.mod lri_integrals.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_forces.F lri_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_forces.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_forces.mod' due to: lri_forces.o /build/reproducible-path/cp2k-8.1/src/lri_forces.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_force_types.mod kpoint_types.mod lri_environment_types.mod virial_types.mod qs_neighbor_list_types.mod qs_ks_types.mod qs_environment_types.mod qs_o3c_types.mod kinds.mod virial_methods.mod base_hooks.mod lri_integrals.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'virial_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/virial_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod particle_list_types.mod virial_types.mod cp_para_types.mod atomic_kind_list_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod kinds.mod message_passing.mod physcon.mod base_hooks.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/virial_methods.F virial_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' virial_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'virial_methods.mod' due to: virial_methods.o /build/reproducible-path/cp2k-8.1/src/virial_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod particle_list_types.mod virial_types.mod cp_para_types.mod atomic_kind_list_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod kinds.mod message_passing.mod physcon.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_compression.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_compression.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 lri_environment_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_compression.F lri_compression.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_compression.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_compression.mod' due to: lri_compression.o /build/reproducible-path/cp2k-8.1/src/lri_compression.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 lri_environment_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'core_ppl.o' due to: /build/reproducible-path/cp2k-8.1/src/core_ppl.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod particle_types.mod lri_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_overlap_ppl.mod virial_methods.mod base_hooks.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/core_ppl.F core_ppl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' core_ppl.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'core_ppl.mod' due to: core_ppl.o /build/reproducible-path/cp2k-8.1/src/core_ppl.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod particle_types.mod lri_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_overlap_ppl.mod virial_methods.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_o3c_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_o3c_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod ai_overlap3.mod kinds.mod base_hooks.mod orbital_pointers.mod ai_contraction_sphi.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_o3c_methods.F qs_o3c_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_o3c_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_o3c_methods.mod' due to: qs_o3c_methods.o /build/reproducible-path/cp2k-8.1/src/qs_o3c_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod ai_overlap3.mod kinds.mod base_hooks.mod orbital_pointers.mod ai_contraction_sphi.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_environment_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod virial_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod lri_compression.mod message_passing.mod generic_os_integrals.mod cp_output_handling.mod base_hooks.mod lri_integrals.mod core_ppl.mod cp_log_handling.mod input_constants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F lri_environment_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lri_environment_methods.F90 -/build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F:481:40: - - 481 | SUBROUTINE calculate_lri_overlap_aabb(lri_env, qs_env) - | ^ -Warning: 'calculate_lri_overlap_aabb' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F:399:65: - - 399 | nspin - | ^ -Warning: 'nspin' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_environment_methods.mod' due to: lri_environment_methods.o /build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod virial_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod lri_compression.mod message_passing.mod generic_os_integrals.mod cp_output_handling.mod base_hooks.mod lri_integrals.mod core_ppl.mod cp_log_handling.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_cfm_diag.mod' due to: cp_cfm_diag.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'arnoldi_types.o' due to: /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_diag.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_diag.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod cp_para_types.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_cfm_diag.mod cp_blacs_env.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_dbcsr_diag.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_diag.mod' due to: cp_dbcsr_diag.o /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_diag.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod cp_para_types.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_cfm_diag.mod cp_blacs_env.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'arnoldi_types.o' due to: /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_types.F arnoldi_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' arnoldi_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' arnoldi_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'arnoldi_types.mod' due to: arnoldi_types.o /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_types.F kinds.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dbcsr_vector.o' due to: /build/reproducible-path/cp2k-8.1/src/dbcsrx/dbcsr_vector.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table.f90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table_types.f90 kinds.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dbcsr_vector.o' due to: /build/reproducible-path/cp2k-8.1/src/dbcsrx/dbcsr_vector.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table_types.f90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 message_passing.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dbcsrx/dbcsr_vector.F dbcsr_vector.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/reproducible-path/cp2k-8.1/src/dbcsrx/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dbcsr_vector.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/reproducible-path/cp2k-8.1/src/dbcsrx/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dbcsr_vector.F90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/dbcsr_vector.F:503:41: 503 | SUBROUTINE dbcsr_matrixT_vector_mult_${nametype}$ (matrix, vec_in, vec_out, alpha, beta, work_row, work_col, skip_diag) @@ -41370,11 +41275,21 @@ 503 | SUBROUTINE dbcsr_matrixT_vector_mult_${nametype}$ (matrix, vec_in, vec_out, alpha, beta, work_row, work_col, skip_diag) | ^ Warning: 'dbcsr_matrixt_vector_mult_z' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dbcsr_vector.mod' due to: dbcsr_vector.o /build/reproducible-path/cp2k-8.1/src/dbcsrx/dbcsr_vector.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table.f90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table_types.f90 kinds.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dbcsr_vector.mod' due to: dbcsr_vector.o /build/reproducible-path/cp2k-8.1/src/dbcsrx/dbcsr_vector.F /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table_types.f90 /build/reproducible-path/cp2k-8.1/src/dbcsrx/hash_table.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 message_passing.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'arnoldi_geev.o' due to: /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_geev.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_geev.F arnoldi_geev.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/reproducible-path/cp2k-8.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' arnoldi_geev.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'arnoldi_geev.mod' due to: arnoldi_geev.o /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_geev.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'arnoldi_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod kinds.mod base_hooks.mod dbcsr_vector.mod message_passing.mod arnoldi_geev.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_methods.F arnoldi_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:20:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' arnoldi_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'arnoldi_methods.mod' due to: arnoldi_methods.o /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_methods.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod kinds.mod base_hooks.mod dbcsr_vector.mod message_passing.mod arnoldi_geev.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'arnoldi_data_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_manipulation.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi.fypp /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_selection.f90 arnoldi_types.mod kinds.mod util.mod dbcsr_vector.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'arnoldi_data_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_manipulation.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi.fypp /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_selection.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod util.mod kinds.mod base_hooks.mod dbcsr_vector.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F arnoldi_data_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:55 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' arnoldi_data_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' arnoldi_data_methods.F90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F:226:32: 226 | SUBROUTINE set_eval_selection(ar_data, itype) @@ -41395,21 +41310,11 @@ 307 | FUNCTION get_selected_ritz_val(ar_data, ind) RESULT(eval_out) | ^ note: 'eval_out' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'arnoldi_data_methods.mod' due to: arnoldi_data_methods.o /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_manipulation.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi.fypp /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_selection.f90 arnoldi_types.mod kinds.mod util.mod dbcsr_vector.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'arnoldi_geev.o' due to: /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_geev.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_geev.F arnoldi_geev.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:09:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/reproducible-path/cp2k-8.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' arnoldi_geev.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'arnoldi_geev.mod' due to: arnoldi_geev.o /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_geev.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'arnoldi_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi.fypp arnoldi_types.mod kinds.mod dbcsr_vector.mod message_passing.mod arnoldi_geev.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_methods.F arnoldi_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' arnoldi_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'arnoldi_methods.mod' due to: arnoldi_methods.o /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi.fypp arnoldi_types.mod kinds.mod dbcsr_vector.mod message_passing.mod arnoldi_geev.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'arnoldi_data_methods.mod' due to: arnoldi_data_methods.o /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_manipulation.f90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi.fypp /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_data_selection.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod util.mod kinds.mod base_hooks.mod dbcsr_vector.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'arnoldi_api.o' due to: /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_api.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod kinds.mod dbcsr_vector.mod message_passing.mod arnoldi_data_methods.mod base_hooks.mod arnoldi_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'arnoldi_api.o' due to: /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_api.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod kinds.mod base_hooks.mod dbcsr_vector.mod arnoldi_methods.mod arnoldi_data_methods.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_api.F arnoldi_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/reproducible-path/cp2k-8.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' arnoldi_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/reproducible-path/cp2k-8.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' arnoldi_api.F90 /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_api.F:493:13: 493 | IF (SQRT(rsnew) < control%threshold) control%converged = .TRUE. @@ -41420,343 +41325,83 @@ 399 | REAL(KIND=dp) :: alpha, beta, pap, rsnew, rsold | ^ note: 'rsnew' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'arnoldi_api.mod' due to: arnoldi_api.o /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_api.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod kinds.mod dbcsr_vector.mod message_passing.mod arnoldi_data_methods.mod base_hooks.mod arnoldi_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'arnoldi_api.mod' due to: arnoldi_api.o /build/reproducible-path/cp2k-8.1/src/arnoldi/arnoldi_api.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod kinds.mod base_hooks.mod dbcsr_vector.mod arnoldi_methods.mod arnoldi_data_methods.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'submatrix_types.o' due to: /build/reproducible-path/cp2k-8.1/src/submatrix_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod util.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'submatrix_types.o' due to: /build/reproducible-path/cp2k-8.1/src/submatrix_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod util.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/submatrix_types.F submatrix_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' submatrix_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' submatrix_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'submatrix_types.mod' due to: submatrix_types.o /build/reproducible-path/cp2k-8.1/src/submatrix_types.F kinds.mod util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'submatrix_dissection.o' due to: /build/reproducible-path/cp2k-8.1/src/submatrix_dissection.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 submatrix_types.mod kinds.mod bibliography.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'submatrix_dissection.o' due to: /build/reproducible-path/cp2k-8.1/src/submatrix_dissection.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 submatrix_types.mod kinds.mod base_hooks.mod bibliography.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/submatrix_dissection.F submatrix_dissection.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' submatrix_dissection.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'submatrix_dissection.mod' due to: submatrix_dissection.o /build/reproducible-path/cp2k-8.1/src/submatrix_dissection.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 submatrix_types.mod kinds.mod bibliography.mod message_passing.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' submatrix_dissection.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'submatrix_dissection.mod' due to: submatrix_dissection.o /build/reproducible-path/cp2k-8.1/src/submatrix_dissection.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 submatrix_types.mod kinds.mod base_hooks.mod bibliography.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'iterate_matrix.o' due to: /build/reproducible-path/cp2k-8.1/src/iterate_matrix.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathlib.mod kinds.mod bibliography.mod message_passing.mod arnoldi_api.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod submatrix_dissection.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'iterate_matrix.o' due to: /build/reproducible-path/cp2k-8.1/src/iterate_matrix.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 submatrix_dissection.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod bibliography.mod message_passing.mod arnoldi_api.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/iterate_matrix.F iterate_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' iterate_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' iterate_matrix.F90 /build/reproducible-path/cp2k-8.1/src/iterate_matrix.F:2128:32: 2128 | SUBROUTINE matrix_exponential(matrix_exp, matrix, omega, alpha, threshold) | ^ Warning: 'matrix_exponential' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'iterate_matrix.mod' due to: iterate_matrix.o /build/reproducible-path/cp2k-8.1/src/iterate_matrix.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mathlib.mod kinds.mod bibliography.mod message_passing.mod arnoldi_api.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod submatrix_dissection.mod machine.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_o3c_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_o3c_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_o3c_types.mod basis_set_types.mod kinds.mod ai_overlap3.mod ai_contraction_sphi.mod base_hooks.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_o3c_methods.F qs_o3c_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_o3c_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_o3c_methods.mod' due to: qs_o3c_methods.o /build/reproducible-path/cp2k-8.1/src/qs_o3c_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_o3c_types.mod basis_set_types.mod kinds.mod ai_overlap3.mod ai_contraction_sphi.mod base_hooks.mod orbital_pointers.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_contraction.mod' due to: ai_contraction.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_cp2k_link.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cp2k_link.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_keyword_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_ks_types.mod cp_control_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod bibliography.mod ao_util.mod qs_integral_utils.mod string_utilities.mod cp_dbcsr_operations.mod base_hooks.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cp2k_link.F cp_dbcsr_cp2k_link.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_dbcsr_cp2k_link.F90 -/build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cp2k_link.F:509:13: - - 509 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_cp2k_link.mod' due to: cp_dbcsr_cp2k_link.o /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cp2k_link.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_keyword_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_ks_types.mod cp_control_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod bibliography.mod ao_util.mod qs_integral_utils.mod string_utilities.mod cp_dbcsr_operations.mod base_hooks.mod orbital_pointers.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_overlap.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_overlap.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_neighbor_list_types.mod block_p_types.mod kpoint_types.mod virial_types.mod basis_set_types.mod kinds.mod ai_contraction.mod string_utilities.mod cp_dbcsr_operations.mod orbital_pointers.mod ai_overlap.mod virial_methods.mod base_hooks.mod particle_methods.mod qs_integral_utils.mod cp_dbcsr_cp2k_link.mod orbital_symbols.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_overlap.F qs_overlap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_overlap.F90 -/build/reproducible-path/cp2k-8.1/src/qs_overlap.F:312:46: - - 312 | !$OMP REDUCTION (+ : pv_thread, force_thread ) - | ^ -Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_overlap.F:312:46: Warning: 'use_cell_mapping' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_overlap.F:522:10: - - 522 | IF (dokp) THEN - | ^ -Warning: 'dokp' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_overlap.mod' due to: qs_overlap.o /build/reproducible-path/cp2k-8.1/src/qs_overlap.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_neighbor_list_types.mod block_p_types.mod kpoint_types.mod virial_types.mod basis_set_types.mod kinds.mod ai_contraction.mod string_utilities.mod cp_dbcsr_operations.mod orbital_pointers.mod ai_overlap.mod virial_methods.mod base_hooks.mod particle_methods.mod qs_integral_utils.mod cp_dbcsr_cp2k_link.mod orbital_symbols.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'iterate_matrix.mod' due to: iterate_matrix.o /build/reproducible-path/cp2k-8.1/src/iterate_matrix.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 submatrix_dissection.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod bibliography.mod message_passing.mod arnoldi_api.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_cfm_diag.mod' due to: cp_cfm_diag.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_diag.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_diag.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod cp_cfm_diag.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_dbcsr_diag.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_diag.mod' due to: cp_dbcsr_diag.o /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_diag.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod cp_cfm_diag.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ri_environment_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/ri_environment_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_o3c_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod util.mod iterate_matrix.mod arnoldi_api.mod base_hooks.mod qs_o3c_methods.mod qs_overlap.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_diag.mod qs_collocate_density.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ri_environment_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/ri_environment_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_o3c_types.mod pw_types.mod cp_para_types.mod qs_ks_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod qs_environment_types.mod qs_o3c_methods.mod cp_dbcsr_diag.mod message_passing.mod util.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod qs_overlap.mod kinds.mod base_hooks.mod arnoldi_api.mod cp_dbcsr_operations.mod qs_collocate_density.mod iterate_matrix.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ri_environment_methods.F ri_environment_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ri_environment_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ri_environment_methods.F90 /build/reproducible-path/cp2k-8.1/src/ri_environment_methods.F:626:23: 626 | IF (symm .AND. (iatom /= jatom)) THEN | ^ Warning: 'symm' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ri_environment_methods.mod' due to: ri_environment_methods.o /build/reproducible-path/cp2k-8.1/src/ri_environment_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_o3c_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod util.mod iterate_matrix.mod arnoldi_api.mod base_hooks.mod qs_o3c_methods.mod qs_overlap.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_diag.mod qs_collocate_density.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_oce_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod qs_local_rho_types.mod kinds.mod qs_rho_atom_methods.mod lri_environment_methods.mod cp_dbcsr_operations.mod ri_environment_methods.mod base_hooks.mod pw_methods.mod cp_log_handling.mod cp_dbcsr_cp2k_link.mod qs_collocate_density.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho_methods.F qs_rho_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_rho_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho_methods.mod' due to: qs_rho_methods.o /build/reproducible-path/cp2k-8.1/src/qs_rho_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_oce_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod qs_local_rho_types.mod kinds.mod qs_rho_atom_methods.mod lri_environment_methods.mod cp_dbcsr_operations.mod ri_environment_methods.mod base_hooks.mod pw_methods.mod cp_log_handling.mod cp_dbcsr_cp2k_link.mod qs_collocate_density.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fermi_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/fermi_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod kahan_sum.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fermi_utils.F fermi_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fermi_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fermi_utils.mod' due to: fermi_utils.o /build/reproducible-path/cp2k-8.1/src/fermi_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod kahan_sum.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mo_occupation.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod xas_env_types.mod scf_control_types.mod kinds.mod fermi_utils.mod kahan_sum.mod util.mod cp_log_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F qs_mo_occupation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_mo_occupation.F90 -/build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F:157:26: - - 157 | homo_a = lfomo_a - 1 - | ^ -Warning: 'lfomo_a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F:164:26: - - 164 | homo_b = lfomo_b - 1 - | ^ -Warning: 'lfomo_b' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mo_occupation.mod' due to: qs_mo_occupation.o /build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod xas_env_types.mod scf_control_types.mod kinds.mod fermi_utils.mod kahan_sum.mod util.mod cp_log_handling.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'admm_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/admm_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 admm_types.mod cp_gemm_interface.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/admm_utils.F admm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' admm_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'admm_utils.mod' due to: admm_utils.o /build/reproducible-path/cp2k-8.1/src/admm_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 admm_types.mod cp_gemm_interface.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mo_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mo_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 admm_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_mo_occupation.mod cp_fm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod physcon.mod cp_log_handling.mod admm_utils.mod cp_gemm_interface.mod cp_fm_cholesky.mod cp_dbcsr_diag.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mo_methods.F qs_mo_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_mo_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mo_methods.mod' due to: qs_mo_methods.o /build/reproducible-path/cp2k-8.1/src/qs_mo_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 admm_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_mo_occupation.mod cp_fm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod physcon.mod cp_log_handling.mod admm_utils.mod cp_gemm_interface.mod cp_fm_cholesky.mod cp_dbcsr_diag.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_wf_history_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_wf_history_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod qs_rho_types.mod cp_fm_pool_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod cp_fm_types.mod qs_mo_types.mod qs_wf_history_types.mod scf_control_types.mod pw_pool_types.mod pw_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod bibliography.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod pw_methods.mod cp_log_handling.mod input_constants.mod cp_gemm_interface.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_wf_history_methods.F qs_wf_history_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:55 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_wf_history_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_wf_history_methods.mod' due to: qs_wf_history_methods.o /build/reproducible-path/cp2k-8.1/src/qs_wf_history_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod qs_rho_types.mod cp_fm_pool_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod cp_fm_types.mod qs_mo_types.mod qs_wf_history_types.mod scf_control_types.mod pw_pool_types.mod pw_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod bibliography.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod pw_methods.mod cp_log_handling.mod input_constants.mod cp_gemm_interface.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod qs_environment_types.mod almo_scf_types.mod kinds.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_env_methods.F almo_scf_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:10:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' almo_scf_env_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_env_methods.mod' due to: almo_scf_env_methods.o /build/reproducible-path/cp2k-8.1/src/almo_scf_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod qs_environment_types.mod almo_scf_types.mod kinds.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dispersion_pairpot.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod qs_dispersion_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod molecule_types.mod virial_types.mod cp_parser_types.mod cp_para_types.mod atprop_types.mod kinds.mod message_passing.mod bibliography.mod cp_files.mod cp_output_handling.mod virial_methods.mod base_hooks.mod mathconstants.mod physcon.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_parser_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dispersion_pairpot.F90 -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1599:33: - - 1599 | e8tot = e8tot - e8 - | ^ -Warning: 'e8' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1598:33: - - 1598 | e6tot = e6tot - e6 - | ^ -Warning: 'e6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1617:53: - - 1617 | fdij(:) = (de6 + de8)*rij(:)/dr*fac - | ^ -Warning: 'de8' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1617:53: Warning: 'de6' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1872:123: - - 1872 | force(jkind)%dispersion(:, atom_b) = force(jkind)%dispersion(:, atom_b) - fdik(:) - | ^ -Warning: 'atom_b' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1921:123: - - 1921 | force(ikind)%dispersion(:, atom_a) = force(ikind)%dispersion(:, atom_a) - fdik(:) - | ^ -Warning: 'atom_a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:2000:111: - - 2000 | elrc9 = elrc9 - s9*64._dp*twopi*REAL(na*nb*nc, KIND=dp)*c9/(6._dp*rcut**3*cell%deth**2) - | ^ -Warning: 's9' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1639:27: - - 1639 | ELSE IF (idmp == 2) THEN - | ^ -Warning: 'idmp' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:2102:10: - - 2102 | IF (domol) THEN - | ^ -Warning: 'domol' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1545:83: - - 1545 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) - | ^ -Warning: 'atstr.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1545:83: Warning: 'atstr.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: - - 1819 | CALL virial_pair_force(atstr(:, :, katom), -0.5_dp, fdij, rca) - | ^ -Warning: 'atstr.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: Warning: 'atstr.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: Warning: 'atstr.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: Warning: 'atstr.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: Warning: 'atstr.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: Warning: 'atstr.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1545:83: - - 1545 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) - | ^ -Warning: 'atstr.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1550:68: - - 1550 | atener(iatom) = atener(iatom) - 0.5_dp*xp*fdmp*fac - | ^ -Warning: 'atener.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1550:68: Warning: 'atener.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1550:68: Warning: 'atener.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dispersion_pairpot.mod' due to: qs_dispersion_pairpot.o /build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod qs_dispersion_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod molecule_types.mod virial_types.mod cp_parser_types.mod cp_para_types.mod atprop_types.mod kinds.mod message_passing.mod bibliography.mod cp_files.mod cp_output_handling.mod virial_methods.mod base_hooks.mod mathconstants.mod physcon.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_parser_methods.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dispersion_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dispersion_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_dispersion_types.mod input_section_types.mod qs_kind_types.mod qs_environment_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod physcon.mod qs_dispersion_pairpot.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dispersion_utils.F qs_dispersion_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dispersion_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dispersion_utils.mod' due to: qs_dispersion_utils.o /build/reproducible-path/cp2k-8.1/src/qs_dispersion_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_dispersion_types.mod input_section_types.mod qs_kind_types.mod qs_environment_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod physcon.mod qs_dispersion_pairpot.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ri_environment_methods.mod' due to: ri_environment_methods.o /build/reproducible-path/cp2k-8.1/src/ri_environment_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_o3c_types.mod pw_types.mod cp_para_types.mod qs_ks_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod qs_environment_types.mod qs_o3c_methods.mod cp_dbcsr_diag.mod message_passing.mod util.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod qs_overlap.mod kinds.mod base_hooks.mod arnoldi_api.mod cp_dbcsr_operations.mod qs_collocate_density.mod iterate_matrix.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dispersion_nonloc.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod qs_dispersion_types.mod virial_types.mod cp_para_types.mod pw_types.mod kinds.mod bibliography.mod cp_files.mod message_passing.mod pw_methods.mod base_hooks.mod mathconstants.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dispersion_nonloc.F90 -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:674:102: - - 674 | virial_thread(l, m) = virial_thread(l, m) - gm*(grid%g(l, ig)*grid%g(m, ig))/g - | ^ -Warning: 'g' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:598:61: - - 598 | REAL(KIND=dp) :: g, g2, g2_last, g_multiplier, gm - | ^ -note: 'g' was declared here -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:854:32: - - 854 | IF (use_virial .AND. ABS(prefactor) > 0.0_dp) THEN - | ^ -Warning: 'prefactor' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:760:84: - - 760 | dq_6, e, f, P, prefactor, tmp_1_2, & - | ^ -note: 'prefactor' was declared here -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:1051:105: - - 1051 | dq0_dgradrho(i_grid) = total_rho(i_grid)*dq0_dq*2.0_dp*(-Z_ab)/(36.0_dp*kF*total_rho(i_grid)**2) - | ^ -Warning: 'z_ab' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:975:86: - - 975 | q_min, r_s, sqrt_r_s, Z_ab - | ^ -note: 'z_ab' was declared here -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:1189:118: - - 1189 | *(gradient_rho(i_grid, 1)**2 + gradient_rho(i_grid, 2)**2 + gradient_rho(i_grid, 3)**2) - | ^ -Warning: 'z_ab' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F:1158:86: - - 1158 | q_min, r_s, sqrt_r_s, Z_ab - | ^ -note: 'z_ab' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dispersion_nonloc.mod' due to: qs_dispersion_nonloc.o /build/reproducible-path/cp2k-8.1/src/qs_dispersion_nonloc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod qs_dispersion_types.mod virial_types.mod cp_para_types.mod pw_types.mod kinds.mod bibliography.mod cp_files.mod message_passing.mod pw_methods.mod base_hooks.mod mathconstants.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_ks_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_ks_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod lri_environment_types.mod qs_neighbor_list_types.mod qs_o3c_types.mod kinds.mod lri_compression.mod qs_o3c_methods.mod base_hooks.mod ri_environment_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_ks_methods.F lri_ks_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_ks_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_ks_methods.mod' due to: lri_ks_methods.o /build/reproducible-path/cp2k-8.1/src/lri_ks_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod lri_environment_types.mod qs_neighbor_list_types.mod qs_o3c_types.mod kinds.mod lri_compression.mod qs_o3c_methods.mod base_hooks.mod ri_environment_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ec_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/ec_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_container_types.mod qs_kind_types.mod qs_dispersion_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod ec_env_types.mod cp_para_types.mod basis_set_types.mod kinds.mod string_utilities.mod orbital_pointers.mod base_hooks.mod input_cp2k_check.mod qs_dispersion_pairpot.mod qs_interactions.mod qs_dispersion_utils.mod input_constants.mod qs_dispersion_nonloc.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ec_environment.F ec_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ec_environment.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ec_environment.mod' due to: ec_environment.o /build/reproducible-path/cp2k-8.1/src/ec_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_container_types.mod qs_kind_types.mod qs_dispersion_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod ec_env_types.mod cp_para_types.mod basis_set_types.mod kinds.mod string_utilities.mod orbital_pointers.mod base_hooks.mod input_cp2k_check.mod qs_dispersion_pairpot.mod qs_interactions.mod qs_dispersion_utils.mod input_constants.mod qs_dispersion_nonloc.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_overlap_ppl.mod' due to: ai_overlap_ppl.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho0_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod qs_rho0_types.mod qs_local_rho_types.mod basis_set_types.mod kinds.mod ao_util.mod orbital_transformation_matrices.mod orbital_pointers.mod qs_harmonics_atom.mod cp_output_handling.mod base_hooks.mod mathconstants.mod qs_oce_methods.mod cp_log_handling.mod memory_utilities.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F qs_rho0_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_rho0_methods.F90 -/build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F:194:74: - - 194 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as - | ^ -Warning: 'cpc_as.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F:194:66: - - 194 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as - | ^ -Warning: 'cpc_ah.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho0_methods.mod' due to: qs_rho0_methods.o /build/reproducible-path/cp2k-8.1/src/qs_rho0_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod qs_rho0_types.mod qs_local_rho_types.mod basis_set_types.mod kinds.mod ao_util.mod orbital_transformation_matrices.mod orbital_pointers.mod qs_harmonics_atom.mod cp_output_handling.mod base_hooks.mod mathconstants.mod qs_oce_methods.mod cp_log_handling.mod memory_utilities.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'core_ppl.o' due to: /build/reproducible-path/cp2k-8.1/src/core_ppl.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_force_types.mod external_potential_types.mod lri_environment_types.mod qs_kind_types.mod particle_types.mod virial_types.mod qs_neighbor_list_types.mod ai_overlap_ppl.mod kinds.mod virial_methods.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/core_ppl.F core_ppl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' core_ppl.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'core_ppl.mod' due to: core_ppl.o /build/reproducible-path/cp2k-8.1/src/core_ppl.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_force_types.mod external_potential_types.mod lri_environment_types.mod qs_kind_types.mod particle_types.mod virial_types.mod qs_neighbor_list_types.mod ai_overlap_ppl.mod kinds.mod virial_methods.mod base_hooks.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_operators_ao.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_moments.mod cp_log_handling.mod ai_os_rr.mod base_hooks.mod mathconstants.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F qs_operators_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_operators_ao.F90 -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1477:13: - - 1477 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1472:63: - - 1472 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lzo2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1472:63: Warning: 'lyo2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1472:63: Warning: 'lxo2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1195:13: - - 1195 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1190:63: - - 1190 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lzo2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1190:63: Warning: 'lyo2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1190:63: Warning: 'lxo2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:919:13: - - 919 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:916:63: - - 916 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lzo2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:916:63: Warning: 'lyo2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:916:63: Warning: 'lxo2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:534:13: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_environment_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod basis_set_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod generic_os_integrals.mod message_passing.mod lri_compression.mod mathlib.mod lri_integrals.mod cp_output_handling.mod kinds.mod base_hooks.mod qs_collocate_density.mod input_constants.mod core_ppl.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F lri_environment_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_environment_methods.F90 +/build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F:481:40: - 534 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:180:13: + 481 | SUBROUTINE calculate_lri_overlap_aabb(lri_env, qs_env) + | ^ +Warning: 'calculate_lri_overlap_aabb' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F:399:65: - 180 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_operators_ao.mod' due to: qs_operators_ao.o /build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_moments.mod cp_log_handling.mod ai_os_rr.mod base_hooks.mod mathconstants.mod orbital_pointers.mod + 399 | nspin + | ^ +Warning: 'nspin' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_environment_methods.mod' due to: lri_environment_methods.o /build/reproducible-path/cp2k-8.1/src/lri_environment_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod basis_set_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod generic_os_integrals.mod message_passing.mod lri_compression.mod mathlib.mod lri_integrals.mod cp_output_handling.mod kinds.mod base_hooks.mod qs_collocate_density.mod input_constants.mod core_ppl.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_spin_orbit.mod' due to: ai_spin_orbit.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_rho_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_rho_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod pw_pool_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod qs_rho_atom_types.mod qs_oce_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod qs_local_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod cp_dbcsr_cp2k_link.mod pw_methods.mod ri_environment_methods.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_collocate_density.mod lri_environment_methods.mod qs_rho_atom_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_rho_methods.F qs_rho_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_rho_methods.mod' due to: qs_rho_methods.o /build/reproducible-path/cp2k-8.1/src/qs_rho_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod pw_pool_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod qs_rho_atom_types.mod qs_oce_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod qs_local_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod cp_dbcsr_cp2k_link.mod pw_methods.mod ri_environment_methods.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_collocate_density.mod lri_environment_methods.mod qs_rho_atom_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_output.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod particle_types.mod cp_fm_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod mathlib.mod kinds.mod message_passing.mod particle_methods.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_output.F cp_dbcsr_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_dbcsr_output.F90 -/build/reproducible-path/cp2k-8.1/src/cp_dbcsr_output.F:245:10: - - 245 | IF (print_sym) THEN - | ^ -Warning: 'print_sym' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_output.mod' due to: cp_dbcsr_output.o /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod particle_types.mod cp_fm_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod mathlib.mod kinds.mod message_passing.mod particle_methods.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kg_correction.o' due to: /build/reproducible-path/cp2k-8.1/src/kg_correction.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kg_environment_types.mod pw_pool_types.mod xc_rho_cflags_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod virial_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod lri_environment_types.mod qs_environment_types.mod lri_forces.mod xc.mod message_passing.mod lri_ks_methods.mod pw_methods.mod qs_rho_methods.mod kinds.mod qs_vxc.mod base_hooks.mod qs_integrate_potential.mod xc_derivatives.mod input_constants.mod lri_environment_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kg_correction.F kg_correction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kg_correction.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kg_correction.mod' due to: kg_correction.o /build/reproducible-path/cp2k-8.1/src/kg_correction.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod kg_environment_types.mod pw_pool_types.mod xc_rho_cflags_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod virial_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod lri_environment_types.mod qs_environment_types.mod lri_forces.mod xc.mod message_passing.mod lri_ks_methods.mod pw_methods.mod qs_rho_methods.mod kinds.mod qs_vxc.mod base_hooks.mod qs_integrate_potential.mod xc_derivatives.mod input_constants.mod lri_environment_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_spin_orbit.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_spin_orbit.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod cp_para_types.mod particle_types.mod block_p_types.mod cell_types.mod qs_kind_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod ai_spin_orbit.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_spin_orbit.F qs_spin_orbit.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_spin_orbit.F90 -/build/reproducible-path/cp2k-8.1/src/qs_spin_orbit.F:195:13: - - 195 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_spin_orbit.mod' due to: qs_spin_orbit.o /build/reproducible-path/cp2k-8.1/src/qs_spin_orbit.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod cp_para_types.mod particle_types.mod block_p_types.mod cell_types.mod qs_kind_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod ai_spin_orbit.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_core_energies.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_core_energies.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod particle_types.mod qs_neighbor_list_types.mod atprop_types.mod qs_environment_types.mod distribution_1d_types.mod qs_energy_types.mod mathconstants.mod kinds.mod virial_methods.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_core_energies.F qs_core_energies.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_core_energies.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_core_energies.mod' due to: qs_core_energies.o /build/reproducible-path/cp2k-8.1/src/qs_core_energies.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod particle_types.mod qs_neighbor_list_types.mod atprop_types.mod qs_environment_types.mod distribution_1d_types.mod qs_energy_types.mod mathconstants.mod kinds.mod virial_methods.mod base_hooks.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'commutator_rpnl.o' due to: /build/reproducible-path/cp2k-8.1/src/commutator_rpnl.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod external_potential_types.mod sap_kind_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_overlap.mod ai_moments.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'commutator_rpnl.o' due to: /build/reproducible-path/cp2k-8.1/src/commutator_rpnl.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod block_p_types.mod external_potential_types.mod qs_kind_types.mod particle_types.mod sap_kind_types.mod cell_types.mod qs_neighbor_list_types.mod kinds.mod ai_moments.mod base_hooks.mod orbital_pointers.mod ai_overlap.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/commutator_rpnl.F commutator_rpnl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' commutator_rpnl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:21:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' commutator_rpnl.F90 /build/reproducible-path/cp2k-8.1/src/commutator_rpnl.F:645:72: 645 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 @@ -41901,18 +41546,69 @@ 93 | REAL(KIND=dp) :: dac, ppnl_radius | ^ note: 'ppnl_radius' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'commutator_rpnl.mod' due to: commutator_rpnl.o /build/reproducible-path/cp2k-8.1/src/commutator_rpnl.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod external_potential_types.mod sap_kind_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_overlap.mod ai_moments.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'commutator_rpnl.mod' due to: commutator_rpnl.o /build/reproducible-path/cp2k-8.1/src/commutator_rpnl.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod block_p_types.mod external_potential_types.mod qs_kind_types.mod particle_types.mod sap_kind_types.mod cell_types.mod qs_neighbor_list_types.mod kinds.mod ai_moments.mod base_hooks.mod orbital_pointers.mod ai_overlap.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'moments_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/moments_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod fist_environment_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod qs_kind_types.mod qs_environment_types.mod kinds.mod message_passing.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'moments_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/moments_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod qs_kind_types.mod fist_environment_types.mod particle_types.mod cell_types.mod qs_environment_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod input_constants.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/moments_utils.F moments_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' moments_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'moments_utils.mod' due to: moments_utils.o /build/reproducible-path/cp2k-8.1/src/moments_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod fist_environment_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod qs_kind_types.mod qs_environment_types.mod kinds.mod message_passing.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:22:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' moments_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'moments_utils.mod' due to: moments_utils.o /build/reproducible-path/cp2k-8.1/src/moments_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod qs_kind_types.mod fist_environment_types.mod particle_types.mod cell_types.mod qs_environment_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod input_constants.mod message_passing.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_angmom.mod' due to: ai_angmom.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_moments.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_moments.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod rt_propagation_types.mod distribution_1d_types.mod qs_kind_types.mod qs_rho_types.mod cp_cfm_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod block_p_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod commutator_rpnl.mod cp_dbcsr_operations.mod qs_operators_ao.mod orbital_pointers.mod cp_cfm_basic_linalg.mod ai_moments.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod physcon.mod particle_methods.mod moments_utils.mod cp_result_methods.mod cp_gemm_interface.mod cp_dbcsr_cp2k_link.mod ai_angmom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_operators_ao.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod block_p_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mathconstants.mod kinds.mod ai_moments.mod cp_log_handling.mod ai_os_rr.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F qs_operators_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:22:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_operators_ao.F90 +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1477:13: + + 1477 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1472:63: + + 1472 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lzo2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1472:63: Warning: 'lyo2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1472:63: Warning: 'lxo2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1195:13: + + 1195 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1190:63: + + 1190 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lzo2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1190:63: Warning: 'lyo2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:1190:63: Warning: 'lxo2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:919:13: + + 919 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:916:63: + + 916 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lzo2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:916:63: Warning: 'lyo2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:916:63: Warning: 'lxo2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:534:13: + + 534 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F:180:13: + + 180 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_operators_ao.mod' due to: qs_operators_ao.o /build/reproducible-path/cp2k-8.1/src/qs_operators_ao.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod block_p_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mathconstants.mod kinds.mod ai_moments.mod cp_log_handling.mod ai_os_rr.mod base_hooks.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_moments.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_moments.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod rt_propagation_types.mod cp_result_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod distribution_1d_types.mod basis_set_types.mod block_p_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod commutator_rpnl.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod moments_utils.mod particle_methods.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod ai_angmom.mod base_hooks.mod cp_cfm_basic_linalg.mod physcon.mod cp_result_methods.mod cp_dbcsr_operations.mod ai_moments.mod qs_operators_ao.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_moments.F qs_moments.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:11:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_moments.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:22:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_moments.F90 /build/reproducible-path/cp2k-8.1/src/qs_moments.F:493:13: 493 | IF (jatom == last_jatom) THEN @@ -41938,304 +41634,624 @@ 2085 | IF (my_com_nl) THEN | ^ Warning: 'my_com_nl' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_moments.mod' due to: qs_moments.o /build/reproducible-path/cp2k-8.1/src/qs_moments.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod rt_propagation_types.mod distribution_1d_types.mod qs_kind_types.mod qs_rho_types.mod cp_cfm_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod block_p_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod commutator_rpnl.mod cp_dbcsr_operations.mod qs_operators_ao.mod orbital_pointers.mod cp_cfm_basic_linalg.mod ai_moments.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod physcon.mod particle_methods.mod moments_utils.mod cp_result_methods.mod cp_gemm_interface.mod cp_dbcsr_cp2k_link.mod ai_angmom.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_fermi_contact.mod' due to: ai_fermi_contact.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fermi_contact.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fermi_contact.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_kind_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod ai_fermi_contact.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fermi_contact.F qs_fermi_contact.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fermi_contact.F90 -/build/reproducible-path/cp2k-8.1/src/qs_fermi_contact.F:195:13: - - 195 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fermi_contact.mod' due to: qs_fermi_contact.o /build/reproducible-path/cp2k-8.1/src/qs_fermi_contact.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_kind_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod ai_fermi_contact.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_elec_field.mod' due to: ai_elec_field.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_moments.mod' due to: qs_moments.o /build/reproducible-path/cp2k-8.1/src/qs_moments.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod rt_propagation_types.mod cp_result_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod distribution_1d_types.mod basis_set_types.mod block_p_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod commutator_rpnl.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod moments_utils.mod particle_methods.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod ai_angmom.mod base_hooks.mod cp_cfm_basic_linalg.mod physcon.mod cp_result_methods.mod cp_dbcsr_operations.mod ai_moments.mod qs_operators_ao.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_elec_field.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_elec_field.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_kind_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod ai_elec_field.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_elec_field.F qs_elec_field.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_elec_field.F90 -/build/reproducible-path/cp2k-8.1/src/qs_elec_field.F:198:13: - - 198 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_elec_field.mod' due to: qs_elec_field.o /build/reproducible-path/cp2k-8.1/src/qs_elec_field.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_kind_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod ai_elec_field.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_op.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_op.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_linres_types.mod qs_kind_types.mod cp_cfm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod qs_spin_orbit.mod cp_dbcsr_operations.mod qs_operators_ao.mod orbital_pointers.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_moments.mod particle_methods.mod cp_log_handling.mod qs_fermi_contact.mod cp_gemm_interface.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod qs_elec_field.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_op.F qs_linres_op.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_op.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_op.mod' due to: qs_linres_op.o /build/reproducible-path/cp2k-8.1/src/qs_linres_op.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_linres_types.mod qs_kind_types.mod cp_cfm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod qs_spin_orbit.mod cp_dbcsr_operations.mod qs_operators_ao.mod orbital_pointers.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_moments.mod particle_methods.mod cp_log_handling.mod qs_fermi_contact.mod cp_gemm_interface.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod qs_elec_field.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_atom_current.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_atom_current.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod sap_kind_types.mod qs_rho_atom_types.mod qs_neighbor_list_types.mod cell_types.mod qs_oce_types.mod cp_para_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod qs_harmonics_atom.mod util.mod base_hooks.mod qs_oce_methods.mod cp_log_handling.mod qs_linres_op.mod input_constants.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_atom_current.F qs_linres_atom_current.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_atom_current.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_atom_current.mod' due to: qs_linres_atom_current.o /build/reproducible-path/cp2k-8.1/src/qs_linres_atom_current.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod sap_kind_types.mod qs_rho_atom_types.mod qs_neighbor_list_types.mod cell_types.mod qs_oce_types.mod cp_para_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod qs_harmonics_atom.mod util.mod base_hooks.mod qs_oce_methods.mod cp_log_handling.mod qs_linres_op.mod input_constants.mod qs_grid_atom.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'realspace_grid_cube.mod' due to: realspace_grid_cube.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_realspace_grid_cube.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_cube.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_list_types.mod pw_types.mod kinds.mod cp_output_handling.mod base_hooks.mod realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_realspace_grid_cube.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_realspace_grid_cube.mod' due to: cp_realspace_grid_cube.o /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_cube.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_list_types.mod pw_types.mod kinds.mod cp_output_handling.mod base_hooks.mod realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_current.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_current.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_linres_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod task_list_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod basis_set_types.mod kinds.mod ao_util.mod cp_dbcsr_operations.mod qs_operators_ao.mod orbital_pointers.mod cp_fm_basic_linalg.mod gaussian_gridlevels.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_matrix_pools.mod task_list_methods.mod grid_api.mod particle_methods.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod qs_linres_op.mod input_constants.mod cube_utils.mod qs_linres_atom_current.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod rs_pw_interface.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_current.F qs_linres_current.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_current.F90 -/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1289:37: - - 1289 | END FUNCTION encode_ardbmdarb_func - | ^ -Warning: 'func' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1262:56: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_efield_berry.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_period_efield_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_energy_types.mod basis_set_types.mod block_p_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod message_passing.mod qs_moments.mod virial_methods.mod orbital_pointers.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_cfm_basic_linalg.mod cp_dbcsr_operations.mod ai_moments.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F qs_efield_berry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_efield_berry.F90 +/build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F:1050:95: - 1262 | FUNCTION encode_ardbmdarb_func(idir, ir) RESULT(func) - | ^ -note: 'func' was declared here -/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1450:56: + 1050 | force_tmp(iatom, :, i) = force_tmp(iatom, :, i) - fab*hmat(i, idir)*forcea(:) + | ^ +Warning: 'force_tmp.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F:1050:95: Warning: 'force_tmp.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F:691:85: - 1450 | TYPE(box_type), DIMENSION(:, :, :), POINTER :: box - | ^ -Warning: 'MEM[(struct array03_box_type &)&box].dim[2].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: 'MEM[(struct array03_box_type &)&box].dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: 'MEM[(struct array03_box_type &)&box].dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: 'MEM[(struct array03_box_type &)&box].dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: 'MEM[(struct array03_box_type &)&box].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_current.mod' due to: qs_linres_current.o /build/reproducible-path/cp2k-8.1/src/qs_linres_current.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_linres_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod task_list_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod basis_set_types.mod kinds.mod ao_util.mod cp_dbcsr_operations.mod qs_operators_ao.mod orbital_pointers.mod cp_fm_basic_linalg.mod gaussian_gridlevels.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_matrix_pools.mod task_list_methods.mod grid_api.mod particle_methods.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod qs_linres_op.mod input_constants.mod cube_utils.mod qs_linres_atom_current.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod rs_pw_interface.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'transport.o' due to: /build/reproducible-path/cp2k-8.1/src/transport.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod qs_subsys_types.mod transport_env_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod pw_pool_types.mod pw_types.mod kinds.mod message_passing.mod qs_linres_current.mod bibliography.mod cp_output_handling.mod base_hooks.mod physcon.mod particle_methods.mod pw_methods.mod cp_log_handling.mod cp_dbcsr_cp2k_link.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/transport.F transport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' transport.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'transport.mod' due to: transport.o /build/reproducible-path/cp2k-8.1/src/transport.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod qs_subsys_types.mod transport_env_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod pw_pool_types.mod pw_types.mod kinds.mod message_passing.mod qs_linres_current.mod bibliography.mod cp_output_handling.mod base_hooks.mod physcon.mod particle_methods.mod pw_methods.mod cp_log_handling.mod cp_dbcsr_cp2k_link.mod cp_realspace_grid_cube.mod + 691 | REAL(dp), DIMENSION(:, :, :), POINTER :: dcosab, dsinab, force_tmp + | ^ +Warning: 'force_tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F:691:85: Warning: 'force_tmp.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_efield_berry.mod' due to: qs_efield_berry.o /build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_period_efield_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_energy_types.mod basis_set_types.mod block_p_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod message_passing.mod qs_moments.mod virial_methods.mod orbital_pointers.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_cfm_basic_linalg.mod cp_dbcsr_operations.mod ai_moments.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int3_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int3_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int3_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int3_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int3_utils.F semi_empirical_int3_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_int3_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int3_utils.F90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int3_utils.F:118:32: 118 | add = (pij + pkl)**2 | ^ Warning: 'pkl' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/semi_empirical_int3_utils.F:118:32: Warning: 'pij' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int3_utils.mod' due to: semi_empirical_int3_utils.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int3_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_expns3_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_expns3_types.mod semi_empirical_types.mod cp_control_types.mod qs_kind_types.mod kinds.mod semi_empirical_int3_utils.mod semi_empirical_utils.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_methods.F semi_empirical_expns3_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_expns3_methods.mod' due to: semi_empirical_expns3_methods.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_expns3_types.mod semi_empirical_types.mod cp_control_types.mod qs_kind_types.mod kinds.mod semi_empirical_int3_utils.mod semi_empirical_utils.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int3_utils.mod' due to: semi_empirical_int3_utils.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int3_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_setup.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_setup.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod mp2_types.mod kinds.mod cp_eri_mme_interface.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_setup.F mp2_setup.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_setup.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_setup.mod' due to: mp2_setup.o /build/reproducible-path/cp2k-8.1/src/mp2_setup.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod mp2_types.mod kinds.mod cp_eri_mme_interface.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod semi_empirical_int3_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_utils.F90 +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1214:38: + + 1214 | add = (pij + pkl)**2 + | ^ +Warning: 'pkl' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1214:38: Warning: 'pij' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:314:38: + + 314 | add = (pij + pkl)**2 + | ^ +Warning: 'pkl' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:314:38: Warning: 'pij' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:841:24: + + 841 | fact = fact*0.5_dp + | ^ +Warning: 'fact' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:875:37: + + 875 | IF (l1 == 0 .AND. l2 == 2 .AND. (m2 == CLMyy .OR. m2 == CLMxx)) THEN + | ^ +Warning: 'm2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:940:37: + + 940 | IF (l1 == 2 .AND. l2 == 2 .AND. (((m1 == CLMyy) .AND. (m2 == CLMyy)) .OR. ((m1 == CLMxx) .AND. (m2 == CLMxx)))) THEN + | ^ +Warning: 'm1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:843:23: + + 843 | IF (l1 == 0 .AND. l2 == 0) THEN + | ^ +Warning: 'l2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:849:37: + + 849 | IF (l1 == 0 .AND. l2 == 1 .AND. m2 == CLMz) THEN + | ^ +Warning: 'l1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:920:23: + + 920 | db = db/2.0_dp + | ^ +Warning: 'db' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:923:109: + + 923 | + add0/SQRT((r - db)**2 + (da + db)**2 + add)**3 - add0/SQRT((r + db)**2 + (da + db)**2 + add)**3 + | ^ +Warning: 'da' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:670:37: + + 670 | IF (l1 == 0 .AND. l2 == 2 .AND. (m2 == CLMyy .OR. m2 == CLMxx)) THEN + | ^ +Warning: 'm2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:735:37: + + 735 | IF (l1 == 2 .AND. l2 == 2 .AND. (((m1 == CLMyy) .AND. (m2 == CLMyy)) .OR. ((m1 == CLMxx) .AND. (m2 == CLMxx)))) THEN + | ^ +Warning: 'm1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:638:23: + + 638 | IF (l1 == 0 .AND. l2 == 0) THEN + | ^ +Warning: 'l2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:644:37: + + 644 | IF (l1 == 0 .AND. l2 == 1 .AND. m2 == CLMz) THEN + | ^ +Warning: 'l1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:640:28: + + 640 | charg = -charg*fact + | ^ +Warning: 'fact' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:715:23: + + 715 | db = db/2.0_dp + | ^ +Warning: 'db' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:718:117: + + 718 | + (r - db)/SQRT((r - db)**2 + (da + db)**2 + add)**3 - (r + db)/SQRT((r + db)**2 + (da + db)**2 + add)**3 + | ^ +Warning: 'da' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:467:37: + + 467 | IF (l1 == 0 .AND. l2 == 2 .AND. (m2 == CLMyy .OR. m2 == CLMxx)) THEN + | ^ +Warning: 'm2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:533:37: + + 533 | IF (l1 == 2 .AND. l2 == 2 .AND. (((m1 == CLMyy) .AND. (m2 == CLMyy)) .OR. ((m1 == CLMxx) .AND. (m2 == CLMxx)))) THEN + | ^ +Warning: 'm1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:436:23: + + 436 | IF (l1 == 0 .AND. l2 == 0) THEN + | ^ +Warning: 'l2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:441:37: + + 441 | IF (l1 == 0 .AND. l2 == 1 .AND. m2 == CLMz) THEN + | ^ +Warning: 'l1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:443:34: + + 443 | charg = charg*0.5_dp*fact + | ^ +Warning: 'fact' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:513:23: + + 513 | db = db/2.0_dp + | ^ +Warning: 'db' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:516:107: + + 516 | + 1.0_dp/SQRT((r - db)**2 + (da + db)**2 + add) - 1.0_dp/SQRT((r + db)**2 + (da + db)**2 + add) + | ^ +Warning: 'da' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1958:60: + + 1958 | d_d(:, 1, 5) = pt5sq3*(s2a_d*sb2 + s2a*sb2_d) + | ^ +Warning: 'sb2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1959:60: + + 1959 | d_d(:, 2, 5) = 0.5_dp*(s2a_d*s2b + s2a*s2b_d) + | ^ +Warning: 's2b' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1961:83: + + 1961 | d_d(:, 4, 5) = s2a_d*(cb2 + 0.5_dp*sb2) + s2a*(cb2_d + 0.5_dp*sb2_d) + | ^ +Warning: 's2a' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1941:83: + + 1941 | d_d(:, 4, 1) = c2a_d*(cb2 + 0.5_dp*sb2) + c2a*(cb2_d + 0.5_dp*sb2_d) + | ^ +Warning: 'cb2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1954:49: + + 1954 | d_d(:, 2, 4) = sa_d*c2b + sa*c2b_d + | ^ +Warning: 'c2b' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1941:83: + + 1941 | d_d(:, 4, 1) = c2a_d*(cb2 + 0.5_dp*sb2) + c2a*(cb2_d + 0.5_dp*sb2_d) + | ^ +Warning: 'c2a' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1911:37: + + 1911 | r_d = (/x11, x22, x33/)/r + | ^ +Warning: 'x33' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1912:48: + + 1912 | b_d = 2.0_dp*(x11*x11_d + x22*x22_d) + | ^ +Warning: 'x22' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1912:48: Warning: 'x11' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1919:42: + + 1919 | sb_d = (sqb_d*r - sqb*r_d)*r2i + | ^ +Warning: 'sqb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_utils.mod' due to: semi_empirical_int_utils.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod semi_empirical_int3_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_density_mixing_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod input_constants.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_methods.F qs_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_methods.mod' due to: qs_scf_methods.o /build/reproducible-path/cp2k-8.1/src/qs_scf_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_density_mixing_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod input_constants.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_num.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_num.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_args.f90 taper_types.mod semi_empirical_types.mod multipole_types.mod kinds.mod semi_empirical_int_utils.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_num.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_num.mod' due to: semi_empirical_int_num.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_num.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_args.f90 taper_types.mod semi_empirical_types.mod multipole_types.mod kinds.mod semi_empirical_int_utils.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mixing_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod qs_neighbor_list_types.mod qs_density_mixing_types.mod cp_para_types.mod pw_types.mod cp_control_types.mod distribution_1d_types.mod qs_environment_types.mod qs_rho_types.mod kinds.mod message_passing.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod base_hooks.mod qs_scf_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F qs_mixing_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_mixing_utils.F90 -/build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F:125:80: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_ana.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_args.f90 taper_types.mod semi_empirical_types.mod multipole_types.mod kinds.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_ana.F90 +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F:522:93: - 125 | max_shell, na, natom, nbuffer, nel, & - | ^ -Warning: 'natom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F:233:39: + 522 | dscale = dscale + dzz*fnj1(ig)*EXP(-ax) - dax*zz*fnj1(ig)*EXP(-ax) + | ^ +Warning: 'dzz' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F:422:73: - 233 | mixing_store%ubroy = 0.0_dp - | ^ -Warning: 'na' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F:125:69: + 422 | dscale = SIGN(1.0_dp, scale*tmp)*(dscale*tmp + scale*dtmp) + | ^ +Warning: 'dtmp' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F:216:57: - 125 | max_shell, na, natom, nbuffer, nel, & - | ^ -Warning: 'max_shell' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mixing_utils.mod' due to: qs_mixing_utils.o /build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod qs_neighbor_list_types.mod qs_density_mixing_types.mod cp_para_types.mod pw_types.mod cp_control_types.mod distribution_1d_types.mod qs_environment_types.mod qs_rho_types.mod kinds.mod message_passing.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod base_hooks.mod qs_scf_methods.mod + 216 | tmp_d(3, m) = dcore(1, n)*drij(3) + | ^ +Warning: 'drij[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F:215:57: + + 215 | tmp_d(2, m) = dcore(1, n)*drij(2) + | ^ +Warning: 'drij[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F:214:57: + + 214 | tmp_d(1, m) = dcore(1, n)*drij(1) + | ^ +Warning: 'drij[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_ana.mod' due to: semi_empirical_int_ana.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_args.f90 taper_types.mod semi_empirical_types.mod multipole_types.mod kinds.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_condnum.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_condnum.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod mathlib.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod arnoldi_api.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_condnum.F qs_condnum.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_condnum.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_condnum.mod' due to: qs_condnum.o /build/reproducible-path/cp2k-8.1/src/qs_condnum.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod mathlib.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod arnoldi_api.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_gks.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_gks.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod pw_grid_types.mod dg_types.mod pw_pool_types.mod multipole_types.mod dg_rho0_types.mod semi_empirical_mpole_types.mod mathconstants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_gks.F semi_empirical_int_gks.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_gks.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_gks.mod' due to: semi_empirical_int_gks.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_gks.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod pw_grid_types.mod dg_types.mod pw_pool_types.mod multipole_types.mod dg_rho0_types.mod semi_empirical_mpole_types.mod mathconstants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_kinetic.mod' due to: ai_kinetic.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod memory_utilities.mod kinds.mod semi_empirical_int_ana.mod semi_empirical_int_num.mod base_hooks.mod input_constants.mod semi_empirical_int_gks.mod hfx_compression_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_integrals.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_integrals.mod' due to: semi_empirical_integrals.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod memory_utilities.mod kinds.mod semi_empirical_int_ana.mod semi_empirical_int_num.mod base_hooks.mod input_constants.mod semi_empirical_int_gks.mod hfx_compression_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_kinetic.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_kinetic.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod qs_ks_types.mod cp_control_types.mod qs_neighbor_list_types.mod kpoint_types.mod virial_types.mod basis_set_types.mod kinds.mod ai_contraction.mod cp_dbcsr_operations.mod orbital_pointers.mod virial_methods.mod base_hooks.mod qs_overlap.mod qs_integral_utils.mod ai_kinetic.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_kinetic.F qs_kinetic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_kinetic.F90 -/build/reproducible-path/cp2k-8.1/src/qs_kinetic.F:264:46: - - 264 | !$OMP REDUCTION (+ : pv_thread, force_thread ) - | ^ -Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_kinetic.F:264:46: Warning: 'use_cell_mapping' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_kinetic.F:455:10: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/ewalds_multipole_sr.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_fock_matrix_integrals.F90 +/build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F:1105:62: - 455 | IF (dokp) THEN - | ^ -Warning: 'dokp' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_kinetic.mod' due to: qs_kinetic.o /build/reproducible-path/cp2k-8.1/src/qs_kinetic.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod qs_ks_types.mod cp_control_types.mod qs_neighbor_list_types.mod kpoint_types.mod virial_types.mod basis_set_types.mod kinds.mod ai_contraction.mod cp_dbcsr_operations.mod orbital_pointers.mod virial_methods.mod base_hooks.mod qs_overlap.mod qs_integral_utils.mod ai_kinetic.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kg_tnadd_mat.o' due to: /build/reproducible-path/cp2k-8.1/src/kg_tnadd_mat.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kg_environment_types.mod atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod particle_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_overlap_ppl.mod particle_methods.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod virial_methods.mod base_hooks.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kg_tnadd_mat.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kg_tnadd_mat.mod' due to: kg_tnadd_mat.o /build/reproducible-path/cp2k-8.1/src/kg_tnadd_mat.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kg_environment_types.mod atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod particle_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_overlap_ppl.mod particle_methods.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod virial_methods.mod base_hooks.mod orbital_pointers.mod + 1105 | $: ewalds_multipole_sr_macro(mode="PURE_COULOMB") + | ^ +Warning: 'ch_j' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F:1105:62: Warning: 'ch_i' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_integrals.mod' due to: se_fock_matrix_integrals.o /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F /build/reproducible-path/cp2k-8.1/src/ewalds_multipole_sr.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_verfc.mod' due to: ai_verfc.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_neighbor_lists.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_neighbor_lists.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod subcell_types.mod exclusion_types.mod cp_para_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod cell_types.mod cp_log_handling.mod util.mod cp_units.mod mathlib.mod cp_output_handling.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod string_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_neighbor_lists.F fist_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_neighbor_lists.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_neighbor_lists.mod' due to: fist_neighbor_lists.o /build/reproducible-path/cp2k-8.1/src/fist_neighbor_lists.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod subcell_types.mod exclusion_types.mod cp_para_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod cell_types.mod cp_log_handling.mod util.mod cp_units.mod mathlib.mod cp_output_handling.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod string_utilities.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'core_ae.o' due to: /build/reproducible-path/cp2k-8.1/src/core_ae.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod particle_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod virial_methods.mod base_hooks.mod orbital_pointers.mod ai_verfc.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/core_ae.F core_ae.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' core_ae.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'core_ae.mod' due to: core_ae.o /build/reproducible-path/cp2k-8.1/src/core_ae.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod particle_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod virial_methods.mod base_hooks.mod orbital_pointers.mod ai_verfc.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_neighbor_list_control.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod exclusion_types.mod cp_para_types.mod pair_potential_types.mod particle_types.mod fist_nonbond_env_types.mod cell_types.mod distribution_1d_types.mod kinds.mod cp_log_handling.mod fist_neighbor_lists.mod base_hooks.mod message_passing.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_neighbor_list_control.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_neighbor_list_control.mod' due to: fist_neighbor_list_control.o /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod exclusion_types.mod cp_para_types.mod pair_potential_types.mod particle_types.mod fist_nonbond_env_types.mod cell_types.mod distribution_1d_types.mod kinds.mod cp_log_handling.mod fist_neighbor_lists.mod base_hooks.mod message_passing.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'core_ppnl.o' due to: /build/reproducible-path/cp2k-8.1/src/core_ppnl.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod sap_kind_types.mod particle_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_overlap.mod virial_methods.mod base_hooks.mod orbital_pointers.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/core_ppnl.F core_ppnl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' core_ppnl.F90 -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:519:95: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewalds_multipole.o' due to: /build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/ewalds_multipole_sr.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod dg_rho0_types.mod ewald_environment_types.mod parallel_rng_types.mod pw_pool_types.mod particle_types.mod damping_dipole_types.mod pw_grid_types.mod dg_types.mod ewald_pw_types.mod structure_factor_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod cell_types.mod cp_log_handling.mod message_passing.mod mathlib.mod bibliography.mod fist_neighbor_list_control.mod mathconstants.mod kinds.mod base_hooks.mod structure_factors.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F ewalds_multipole.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewalds_multipole.F90 +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:46: - 519 | !$ iatom8 = INT(iatom - 1, int_8)*INT(natom, int_8) + INT(jatom, int_8) - | ^ -Warning: 'natom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:106:89: + 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) + | ^ +Warning: 'tij' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:555:107: - 106 | ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, maxsgf, na, natom, nb, & - | ^ -note: 'natom' was declared here -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:76: + 555 | ptens12, ptens13, ptens21, ptens22, ptens23, ptens31, ptens32, ptens33, r, rab2, tij, & + | ^ +note: 'tij' was declared here +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:68: - 131 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a - | ^ -Warning: 'alpha_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:76: Warning: 'alpha_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:76: Warning: 'alpha_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:76: Warning: 'alpha_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:110:92: + 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) + | ^ +Warning: 'ch_j' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:554:40: - 110 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, & - | ^ -Warning: 'nprj_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:110:92: Warning: 'nprj_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:110:92: Warning: 'nprj_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:110:92: Warning: 'nprj_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:130:77: + 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & + | ^ +note: 'ch_j' was declared here +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:68: - 130 | sphi_a, vprj_ppnl, zeta - | ^ -Warning: 'vprj_ppnl.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:130:77: Warning: 'vprj_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:130:77: Warning: 'vprj_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:130:77: Warning: 'vprj_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:130:77: Warning: 'vprj_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:82: + 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) + | ^ +Warning: 'ch_i' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:554:34: - 131 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a + 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & + | ^ +note: 'ch_i' was declared here +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:481:46: + + 481 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_GAUSS", damping=False, store_energy=True, store_forces=True) + | ^ +Warning: 'tij' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:382:32: + + 382 | rcut, tij, tmp, tmp1, tmp11, tmp12, tmp13, tmp2, tmp21, tmp22, tmp23, tmp31, tmp32, & + | ^ +note: 'tij' was declared here +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:481:62: + + 481 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_GAUSS", damping=False, store_energy=True, store_forces=True) + | ^ +Warning: 'ch_j' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:378:46: + + 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & + | ^ +note: 'ch_j' was declared here +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:481:62: + + 481 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_GAUSS", damping=False, store_energy=True, store_forces=True) + | ^ +Warning: 'ch_i' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:378:40: + + 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & + | ^ +note: 'ch_i' was declared here +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:75: + + 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) + | ^ +Warning: 'efield2_sr.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:161:70: + + 161 | efield2_sr + | ^ +note: 'efield2_sr.dim[1].stride' was declared here +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:75: + + 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) + | ^ +Warning: 'efield2_sr.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:161:70: + + 161 | efield2_sr + | ^ +note: 'efield2_sr.offset' was declared here +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:72: + + 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) + | ^ +Warning: 'efield1_sr.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:160:82: + + 160 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: efield1_lr, efield1_sr, efield2_lr, & | ^ -Warning: 'hprj.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:82: Warning: 'hprj.span' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:82: Warning: 'hprj.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:82: Warning: 'hprj.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:401:47: +note: 'efield1_sr.dim[1].stride' was declared here +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:72: - 401 | work(1:np, 1:nb) = MATMUL(sab(1:np, first_col:first_col + nprjc - 1), cprj(1:nprjc, 1:nb)) - | ^ -Warning: 'nprjc' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:107:67: + 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) + | ^ +Warning: 'efield1_sr.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:160:82: - 107 | ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, nsgfa, prjc, sgfa, slot - | ^ -note: 'nprjc' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'core_ppnl.mod' due to: core_ppnl.o /build/reproducible-path/cp2k-8.1/src/core_ppnl.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod sap_kind_types.mod particle_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_overlap.mod virial_methods.mod base_hooks.mod orbital_pointers.mod + 160 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: efield1_lr, efield1_sr, efield2_lr, & + | ^ +note: 'efield1_sr.offset' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewalds_multipole.mod' due to: ewalds_multipole.o /build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F /build/reproducible-path/cp2k-8.1/src/ewalds_multipole_sr.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod dg_rho0_types.mod ewald_environment_types.mod parallel_rng_types.mod pw_pool_types.mod particle_types.mod damping_dipole_types.mod pw_grid_types.mod dg_types.mod ewald_pw_types.mod structure_factor_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod cell_types.mod cp_log_handling.mod message_passing.mod mathlib.mod bibliography.mod fist_neighbor_list_control.mod mathconstants.mod kinds.mod base_hooks.mod structure_factors.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_core_hamiltonian.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_core_hamiltonian.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_oce_types.mod virial_types.mod cp_para_types.mod lri_environment_types.mod kg_environment_types.mod kinds.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_output_handling.mod qs_condnum.mod base_hooks.mod qs_kinetic.mod kg_tnadd_mat.mod core_ae.mod qs_oce_methods.mod core_ppl.mod cp_log_handling.mod core_ppnl.mod qs_overlap.mod input_constants.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:12:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_core_hamiltonian.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_core_hamiltonian.mod' due to: qs_core_hamiltonian.o /build/reproducible-path/cp2k-8.1/src/qs_core_hamiltonian.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_oce_types.mod virial_types.mod cp_para_types.mod lri_environment_types.mod kg_environment_types.mod kinds.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_output_handling.mod qs_condnum.mod base_hooks.mod qs_kinetic.mod kg_tnadd_mat.mod core_ae.mod qs_oce_methods.mod core_ppl.mod cp_log_handling.mod core_ppnl.mod qs_overlap.mod input_constants.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod pw_poisson_types.mod ewald_environment_types.mod semi_empirical_store_int_types.mod particle_types.mod atprop_types.mod semi_empirical_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod cp_control_types.mod multipole_types.mod semi_empirical_mpole_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod se_fock_matrix_integrals.mod cp_log_handling.mod message_passing.mod semi_empirical_utils.mod virial_methods.mod fist_neighbor_list_control.mod semi_empirical_integrals.mod cp_output_handling.mod ewalds_multipole.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod semi_empirical_mpole_methods.mod cp_dbcsr_operations.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:23:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_fock_matrix_coulomb.F90 +/build/reproducible-path/cp2k-8.1/src/se_fock_matrix_coulomb.F:494:50: + + 494 | INTEGER :: atom_a, ewald_type, forces_g_size, handle, iatom, ikind, ilist, indi, indj, & + | ^ +Warning: 'forces_g_size' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_coulomb.mod' due to: se_fock_matrix_coulomb.o /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod pw_poisson_types.mod ewald_environment_types.mod semi_empirical_store_int_types.mod particle_types.mod atprop_types.mod semi_empirical_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod cp_control_types.mod multipole_types.mod semi_empirical_mpole_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod se_fock_matrix_integrals.mod cp_log_handling.mod message_passing.mod semi_empirical_utils.mod virial_methods.mod fist_neighbor_list_control.mod semi_empirical_integrals.mod cp_output_handling.mod ewalds_multipole.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod semi_empirical_mpole_methods.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_core_energies.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_core_energies.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod cp_para_types.mod particle_types.mod distribution_1d_types.mod qs_environment_types.mod atprop_types.mod qs_kind_types.mod kinds.mod message_passing.mod virial_methods.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_core_energies.F qs_core_energies.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_core_energies.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_core_energies.mod' due to: qs_core_energies.o /build/reproducible-path/cp2k-8.1/src/qs_core_energies.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod cp_para_types.mod particle_types.mod distribution_1d_types.mod qs_environment_types.mod atprop_types.mod qs_kind_types.mod kinds.mod message_passing.mod virial_methods.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_dbg.o' due to: /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_dbg.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod qs_environment_types.mod qs_energy_types.mod se_fock_matrix_coulomb.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_fock_matrix_dbg.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_dbg.mod' due to: se_fock_matrix_dbg.o /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_dbg.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod qs_environment_types.mod qs_energy_types.mod se_fock_matrix_coulomb.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_ks_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_ks_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_neighbor_list_types.mod qs_o3c_types.mod lri_environment_types.mod kinds.mod lri_compression.mod qs_o3c_methods.mod base_hooks.mod ri_environment_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_ks_methods.F lri_ks_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lri_ks_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_ks_methods.mod' due to: lri_ks_methods.o /build/reproducible-path/cp2k-8.1/src/lri_ks_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_neighbor_list_types.mod qs_o3c_types.mod lri_environment_types.mod kinds.mod lri_compression.mod qs_o3c_methods.mod base_hooks.mod ri_environment_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_exchange.o' due to: /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_exchange.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod semi_empirical_store_int_types.mod particle_types.mod semi_empirical_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod cp_control_types.mod multipole_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod se_fock_matrix_integrals.mod semi_empirical_utils.mod virial_methods.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_fock_matrix_exchange.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_exchange.mod' due to: se_fock_matrix_exchange.o /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_exchange.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod semi_empirical_store_int_types.mod particle_types.mod semi_empirical_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod cp_control_types.mod multipole_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod se_fock_matrix_integrals.mod semi_empirical_utils.mod virial_methods.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_forces.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_forces.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod qs_ks_types.mod kpoint_types.mod qs_o3c_types.mod lri_environment_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod virial_methods.mod base_hooks.mod lri_integrals.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_forces.F lri_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lri_forces.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_forces.mod' due to: lri_forces.o /build/reproducible-path/cp2k-8.1/src/lri_forces.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod qs_ks_types.mod kpoint_types.mod qs_o3c_types.mod lri_environment_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod virial_methods.mod base_hooks.mod lri_integrals.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_fock_matrix.o' due to: /build/reproducible-path/cp2k-8.1/src/se_fock_matrix.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod semi_empirical_store_int_types.mod qs_mo_types.mod particle_types.mod atprop_types.mod cp_para_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod se_fock_matrix_dbg.mod se_fock_matrix_coulomb.mod cp_output_handling.mod kinds.mod base_hooks.mod input_constants.mod se_fock_matrix_exchange.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_fock_matrix.F se_fock_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_fock_matrix.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_fock_matrix.mod' due to: se_fock_matrix.o /build/reproducible-path/cp2k-8.1/src/se_fock_matrix.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod semi_empirical_store_int_types.mod qs_mo_types.mod particle_types.mod atprop_types.mod cp_para_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod se_fock_matrix_dbg.mod se_fock_matrix_coulomb.mod cp_output_handling.mod kinds.mod base_hooks.mod input_constants.mod se_fock_matrix_exchange.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atomic_charges.o' due to: /build/reproducible-path/cp2k-8.1/src/atomic_charges.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod qs_kind_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'efield_tb_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/efield_tb_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod qs_period_efield_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod virial_methods.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/efield_tb_methods.F efield_tb_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' efield_tb_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'efield_tb_methods.mod' due to: efield_tb_methods.o /build/reproducible-path/cp2k-8.1/src/efield_tb_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod qs_period_efield_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod virial_methods.mod mathconstants.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atomic_charges.o' due to: /build/reproducible-path/cp2k-8.1/src/atomic_charges.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atomic_charges.F atomic_charges.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atomic_charges.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atomic_charges.F90 /build/reproducible-path/cp2k-8.1/src/atomic_charges.F:136:30: 136 | SUBROUTINE print_multipoles(particle_set, qs_kind_set, scr, charge, dipole, quadrupole) | ^ Warning: 'print_multipoles' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atomic_charges.mod' due to: atomic_charges.o /build/reproducible-path/cp2k-8.1/src/atomic_charges.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod qs_kind_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atomic_charges.mod' due to: atomic_charges.o /build/reproducible-path/cp2k-8.1/src/atomic_charges.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_ddapc_forces.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_ddapc_forces.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod input_section_types.mod cp_para_types.mod particle_types.mod cp_control_types.mod cell_types.mod pw_types.mod qs_environment_types.mod kinds.mod message_passing.mod pw_spline_utils.mod base_hooks.mod mathconstants.mod spherical_harmonics.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_ddapc_forces.F cp_ddapc_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_ddapc_forces.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_ddapc_forces.mod' due to: cp_ddapc_forces.o /build/reproducible-path/cp2k-8.1/src/cp_ddapc_forces.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod input_section_types.mod cp_para_types.mod particle_types.mod cp_control_types.mod cell_types.mod pw_types.mod qs_environment_types.mod kinds.mod message_passing.mod pw_spline_utils.mod base_hooks.mod mathconstants.mod spherical_harmonics.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mulliken.o' due to: /build/reproducible-path/cp2k-8.1/src/mulliken.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod kinds.mod atomic_charges.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mulliken.F mulliken.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mulliken.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mulliken.mod' due to: mulliken.o /build/reproducible-path/cp2k-8.1/src/mulliken.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod kinds.mod atomic_charges.mod base_hooks.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_ddapc_util.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_ddapc_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod cp_ddapc_types.mod kinds.mod atomic_charges.mod message_passing.mod cp_ddapc_methods.mod cp_output_handling.mod base_hooks.mod mathconstants.mod pw_methods.mod cp_log_handling.mod cp_ddapc_forces.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_ddapc_util.F cp_ddapc_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_ddapc_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_ddapc_util.mod' due to: cp_ddapc_util.o /build/reproducible-path/cp2k-8.1/src/cp_ddapc_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod cp_ddapc_types.mod kinds.mod atomic_charges.mod message_passing.mod cp_ddapc_methods.mod cp_output_handling.mod base_hooks.mod mathconstants.mod pw_methods.mod cp_log_handling.mod cp_ddapc_forces.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb3_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb3_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod particle_types.mod sap_kind_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod virial_methods.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb3_methods.F qs_dftb3_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb3_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb3_methods.mod' due to: qs_dftb3_methods.o /build/reproducible-path/cp2k-8.1/src/qs_dftb3_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod particle_types.mod sap_kind_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod virial_methods.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_ddapc.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_ddapc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod pw_pool_types.mod pw_types.mod kinds.mod cp_ddapc_util.mod bibliography.mod qs_integrate_potential.mod cp_output_handling.mod base_hooks.mod pw_methods.mod cp_log_handling.mod cp_ddapc_forces.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_ddapc.F cp_ddapc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_ddapc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_ddapc.mod' due to: cp_ddapc.o /build/reproducible-path/cp2k-8.1/src/cp_ddapc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod pw_pool_types.mod pw_types.mod kinds.mod cp_ddapc_util.mod bibliography.mod qs_integrate_potential.mod cp_output_handling.mod base_hooks.mod pw_methods.mod cp_log_handling.mod cp_ddapc_forces.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pme_tools.o' due to: /build/reproducible-path/cp2k-8.1/src/pme_tools.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod realspace_grid_types.mod cell_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pme_tools.F pme_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pme_tools.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pme_tools.mod' due to: pme_tools.o /build/reproducible-path/cp2k-8.1/src/pme_tools.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod realspace_grid_types.mod cell_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'd3_poly.mod' due to: d3_poly.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'spme.o' due to: /build/reproducible-path/cp2k-8.1/src/spme.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod ewald_environment_types.mod pw_pool_types.mod particle_types.mod realspace_grid_types.mod atprop_types.mod shell_potential_types.mod pw_grid_types.mod pw_types.mod ewald_pw_types.mod cell_types.mod dgs.mod pw_grids.mod pw_poisson_methods.mod pw_methods.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod pme_tools.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/spme.F spme.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' spme.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'spme.mod' due to: spme.o /build/reproducible-path/cp2k-8.1/src/spme.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod ewald_environment_types.mod pw_pool_types.mod particle_types.mod realspace_grid_types.mod atprop_types.mod shell_potential_types.mod pw_grid_types.mod pw_types.mod ewald_pw_types.mod cell_types.mod dgs.mod pw_grids.mod pw_poisson_methods.mod pw_methods.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod pme_tools.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_qmmm_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod input_section_types.mod qs_ks_qmmm_types.mod pw_types.mod cp_control_types.mod qs_environment_types.mod pw_env_types.mod qmmm_types_low.mod cube_utils.mod kinds.mod cp_output_handling.mod pw_methods.mod cp_log_handling.mod base_hooks.mod input_constants.mod d3_poly.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_qmmm_methods.mod' due to: qs_ks_qmmm_methods.o /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod input_section_types.mod qs_ks_qmmm_types.mod pw_types.mod cp_control_types.mod qs_environment_types.mod pw_env_types.mod qmmm_types_low.mod cube_utils.mod kinds.mod cp_output_handling.mod pw_methods.mod cp_log_handling.mod base_hooks.mod input_constants.mod d3_poly.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewald_methods_tb.o' due to: /build/reproducible-path/cp2k-8.1/src/ewald_methods_tb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod ewald_environment_types.mod pw_pool_types.mod particle_types.mod realspace_grid_types.mod atprop_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod ewald_pw_types.mod virial_types.mod cell_types.mod qs_neighbor_list_types.mod dgs.mod pw_grids.mod pw_poisson_methods.mod spme.mod virial_methods.mod pw_methods.mod mathconstants.mod kinds.mod base_hooks.mod pme_tools.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewald_methods_tb.F ewald_methods_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewald_methods_tb.F90 +/build/reproducible-path/cp2k-8.1/src/ewald_methods_tb.F:392:58: + + 392 | pfr = -dfr*mcharge(iatom)*mcharge(jatom) + | ^ +Warning: 'dfr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewald_methods_tb.mod' due to: ewald_methods_tb.o /build/reproducible-path/cp2k-8.1/src/ewald_methods_tb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod ewald_environment_types.mod pw_pool_types.mod particle_types.mod realspace_grid_types.mod atprop_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod ewald_pw_types.mod virial_types.mod cell_types.mod qs_neighbor_list_types.mod dgs.mod pw_grids.mod pw_poisson_methods.mod spme.mod virial_methods.mod pw_methods.mod mathconstants.mod kinds.mod base_hooks.mod pme_tools.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_cdft_types.mod qs_charges_types.mod qs_energy_types.mod qs_force_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod ps_implicit_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod task_list_types.mod virial_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod pw_poisson_types.mod lri_ks_methods.mod kinds.mod lri_forces.mod message_passing.mod qs_collocate_density.mod lri_environment_methods.mod cp_dbcsr_operations.mod qs_integrate_potential.mod cp_output_handling.mod cp_fm_struct.mod cp_ddapc.mod base_hooks.mod pw_poisson_methods.mod xc.mod pw_methods.mod cp_log_handling.mod input_constants.mod kahan_sum.mod qs_ks_qmmm_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F qs_ks_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ks_utils.F90 -/build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F:1344:77: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_tb_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_tb_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod ewald_environment_types.mod qmmm_types_low.mod particle_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod ewald_pw_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod ewald_methods_tb.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_tb_coulomb.F qmmm_tb_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_tb_coulomb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_tb_coulomb.mod' due to: qmmm_tb_coulomb.o /build/reproducible-path/cp2k-8.1/src/qmmm_tb_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod ewald_environment_types.mod qmmm_types_low.mod particle_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod ewald_pw_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod ewald_methods_tb.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod pw_poisson_types.mod ewald_environment_types.mod particle_types.mod sap_kind_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_dftb3_methods.mod message_passing.mod virial_methods.mod mathconstants.mod qs_dftb_utils.mod kinds.mod base_hooks.mod qmmm_tb_coulomb.mod ewald_methods_tb.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_coulomb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_coulomb.mod' due to: qs_dftb_coulomb.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod pw_poisson_types.mod ewald_environment_types.mod particle_types.mod sap_kind_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_dftb3_methods.mod message_passing.mod virial_methods.mod mathconstants.mod qs_dftb_utils.mod kinds.mod base_hooks.mod qmmm_tb_coulomb.mod ewald_methods_tb.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_matrices.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_matrices.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod qs_mo_types.mod particle_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod block_p_types.mod cp_control_types.mod qs_rho_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_dbcsr_output.mod virial_methods.mod efield_tb_methods.mod cp_dbcsr_cp2k_link.mod particle_methods.mod mulliken.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod base_hooks.mod qs_dftb_coulomb.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_matrices.F qs_dftb_matrices.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_matrices.F90 +/build/reproducible-path/cp2k-8.1/src/qs_dftb_matrices.F:419:19: - 1344 | cdft_control%strength(igroup) - | ^ -Warning: 'sign' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F:801:57: + 419 | IF (use_virial) THEN + | ^ +Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_matrices.mod' due to: qs_dftb_matrices.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_matrices.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod qs_mo_types.mod particle_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod block_p_types.mod cp_control_types.mod qs_rho_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_dbcsr_output.mod virial_methods.mod efield_tb_methods.mod cp_dbcsr_cp2k_link.mod particle_methods.mod mulliken.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod base_hooks.mod qs_dftb_coulomb.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hartree_local_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hartree_local_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod hartree_local_types.mod pw_env_types.mod atprop_types.mod qs_charges_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_rho0_types.mod qs_local_rho_types.mod cell_types.mod qs_environment_types.mod message_passing.mod util.mod qs_grid_atom.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hartree_local_methods.F hartree_local_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hartree_local_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hartree_local_methods.mod' due to: hartree_local_methods.o /build/reproducible-path/cp2k-8.1/src/hartree_local_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod hartree_local_types.mod pw_env_types.mod atprop_types.mod qs_charges_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_rho0_types.mod qs_local_rho_types.mod cell_types.mod qs_environment_types.mod message_passing.mod util.mod qs_grid_atom.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_charge_mixing.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_charge_mixing.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_density_mixing_types.mod kinds.mod base_hooks.mod mathlib.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_charge_mixing.F qs_charge_mixing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_charge_mixing.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_charge_mixing.mod' due to: qs_charge_mixing.o /build/reproducible-path/cp2k-8.1/src/qs_charge_mixing.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_density_mixing_types.mod kinds.mod base_hooks.mod mathlib.mod message_passing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_condnum.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_condnum.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod mathlib.mod cp_blacs_env.mod arnoldi_api.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_condnum.F qs_condnum.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_condnum.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_condnum.mod' due to: qs_condnum.o /build/reproducible-path/cp2k-8.1/src/qs_condnum.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod mathlib.mod cp_blacs_env.mod arnoldi_api.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xtb_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/xtb_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod pw_poisson_types.mod ewald_environment_types.mod particle_types.mod sap_kind_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod basis_set_types.mod xtb_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_contraction.mod qs_dftb3_methods.mod ai_overlap.mod message_passing.mod virial_methods.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod qmmm_tb_coulomb.mod qs_integral_utils.mod ewald_methods_tb.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xtb_coulomb.F xtb_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xtb_coulomb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xtb_coulomb.mod' due to: xtb_coulomb.o /build/reproducible-path/cp2k-8.1/src/xtb_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod pw_poisson_types.mod ewald_environment_types.mod particle_types.mod sap_kind_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod basis_set_types.mod xtb_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_contraction.mod qs_dftb3_methods.mod ai_overlap.mod message_passing.mod virial_methods.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod qmmm_tb_coulomb.mod qs_integral_utils.mod ewald_methods_tb.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dispersion_pairpot.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_dispersion_types.mod particle_types.mod atprop_types.mod qs_force_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod cp_parser_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod virial_methods.mod cp_parser_methods.mod bibliography.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod physcon.mod cp_files.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dispersion_pairpot.F90 +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1599:33: - 801 | energy%hartree = energy%hartree + full_scaling*ener - | ^ -Warning: 'full_scaling' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F:797:56: + 1599 | e8tot = e8tot - e8 + | ^ +Warning: 'e8' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1598:33: - 797 | full_scaling = -dft_control%sic_scaling_a*nelec - | ^ -Warning: 'nelec' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_utils.mod' due to: qs_ks_utils.o /build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_cdft_types.mod qs_charges_types.mod qs_energy_types.mod qs_force_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod ps_implicit_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod task_list_types.mod virial_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod pw_poisson_types.mod lri_ks_methods.mod kinds.mod lri_forces.mod message_passing.mod qs_collocate_density.mod lri_environment_methods.mod cp_dbcsr_operations.mod qs_integrate_potential.mod cp_output_handling.mod cp_fm_struct.mod cp_ddapc.mod base_hooks.mod pw_poisson_methods.mod xc.mod pw_methods.mod cp_log_handling.mod input_constants.mod kahan_sum.mod qs_ks_qmmm_methods.mod + 1598 | e6tot = e6tot - e6 + | ^ +Warning: 'e6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1617:53: + + 1617 | fdij(:) = (de6 + de8)*rij(:)/dr*fac + | ^ +Warning: 'de8' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1617:53: Warning: 'de6' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1872:123: + + 1872 | force(jkind)%dispersion(:, atom_b) = force(jkind)%dispersion(:, atom_b) - fdik(:) + | ^ +Warning: 'atom_b' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1921:123: + + 1921 | force(ikind)%dispersion(:, atom_a) = force(ikind)%dispersion(:, atom_a) - fdik(:) + | ^ +Warning: 'atom_a' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:2000:111: + + 2000 | elrc9 = elrc9 - s9*64._dp*twopi*REAL(na*nb*nc, KIND=dp)*c9/(6._dp*rcut**3*cell%deth**2) + | ^ +Warning: 's9' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1639:27: + + 1639 | ELSE IF (idmp == 2) THEN + | ^ +Warning: 'idmp' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:2102:10: + + 2102 | IF (domol) THEN + | ^ +Warning: 'domol' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1545:83: + + 1545 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) + | ^ +Warning: 'atstr.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1545:83: Warning: 'atstr.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: + + 1819 | CALL virial_pair_force(atstr(:, :, katom), -0.5_dp, fdij, rca) + | ^ +Warning: 'atstr.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: Warning: 'atstr.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: Warning: 'atstr.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: Warning: 'atstr.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: Warning: 'atstr.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: Warning: 'atstr.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1545:83: + + 1545 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) + | ^ +Warning: 'atstr.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1550:68: + + 1550 | atener(iatom) = atener(iatom) - 0.5_dp*xp*fdmp*fac + | ^ +Warning: 'atener.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1550:68: Warning: 'atener.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F:1550:68: Warning: 'atener.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dispersion_pairpot.mod' due to: qs_dispersion_pairpot.o /build/reproducible-path/cp2k-8.1/src/qs_dispersion_pairpot.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_dispersion_types.mod particle_types.mod atprop_types.mod qs_force_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod cp_parser_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod virial_methods.mod cp_parser_methods.mod bibliography.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod physcon.mod cp_files.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xtb_matrices.o' due to: /build/reproducible-path/cp2k-8.1/src/xtb_matrices.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod qs_dispersion_types.mod ewald_environment_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod pair_potential_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod basis_set_types.mod xtb_types.mod block_p_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_contraction.mod qs_charge_mixing.mod pair_potential_util.mod cp_log_handling.mod fparser.mod pair_potential.mod ai_overlap.mod message_passing.mod cp_dbcsr_output.mod xtb_parameters.mod virial_methods.mod efield_tb_methods.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod cp_blacs_env.mod mulliken.mod cp_output_handling.mod qs_condnum.mod qs_overlap.mod kinds.mod base_hooks.mod xtb_coulomb.mod cp_dbcsr_operations.mod string_utilities.mod qs_integral_utils.mod qs_dispersion_pairpot.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xtb_matrices.F xtb_matrices.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xtb_matrices.F90 +/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:1466:22: + + 1466 | IF (iw > 0) WRITE (iw, *) "TESTING ", TRIM(name_atm_a), TRIM(name_atm_b), & + | ^ +Warning: 'iw' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:1442:75: + + 1442 | INTEGER :: ikind, ingp, iw, jkind + | ^ +note: 'iw' was declared here +/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:1517:94: + + 1517 | SUBROUTINE xb_interaction(exb, neighbor_atoms, atom_of_kind, kind_of, sab_xb, kx, kx2, rcab, & + | ^ +Warning: 'rcab.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:161:95: + + 161 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: dfblock, huckel, kcnlk, owork, rcab + | ^ +note: 'rcab.dim[1].stride' was declared here +/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:1399:19: + + 1399 | IF (use_virial) THEN + | ^ +Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:154:46: + + 154 | omit_headers, use_arnoldi, use_virial, xb_inter + | ^ +note: 'use_virial' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xtb_matrices.mod' due to: xtb_matrices.o /build/reproducible-path/cp2k-8.1/src/xtb_matrices.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod qs_dispersion_types.mod ewald_environment_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod pair_potential_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod basis_set_types.mod xtb_types.mod block_p_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_contraction.mod qs_charge_mixing.mod pair_potential_util.mod cp_log_handling.mod fparser.mod pair_potential.mod ai_overlap.mod message_passing.mod cp_dbcsr_output.mod xtb_parameters.mod virial_methods.mod efield_tb_methods.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod cp_blacs_env.mod mulliken.mod cp_output_handling.mod qs_condnum.mod qs_overlap.mod kinds.mod base_hooks.mod xtb_coulomb.mod cp_dbcsr_operations.mod string_utilities.mod qs_integral_utils.mod qs_dispersion_pairpot.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_contraction_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F hfx_contraction_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:24:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_contraction_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_contraction_methods.mod' due to: hfx_contraction_methods.o /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_libint_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_libint_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cell_types.mod mathconstants.mod t_c_g0.mod kinds.mod gamma.mod base_hooks.mod hfx_contraction_methods.mod input_constants.mod orbital_pointers.mod libint_wrapper.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_libint_interface.F hfx_libint_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:25:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_libint_interface.F90 +/build/reproducible-path/cp2k-8.1/src/hfx_libint_interface.F:259:37: + + 259 | factor = factor*S1234*SQRT(tmp) + | ^ +Warning: 'factor' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_libint_interface.mod' due to: hfx_libint_interface.o /build/reproducible-path/cp2k-8.1/src/hfx_libint_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cell_types.mod mathconstants.mod t_c_g0.mod kinds.mod gamma.mod base_hooks.mod hfx_contraction_methods.mod input_constants.mod orbital_pointers.mod libint_wrapper.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 't_sh_p_s_c.mod' due to: t_sh_p_s_c.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_pair_list_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_pair_list_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mp2_types.mod hfx_types.mod particle_types.mod cell_types.mod kinds.mod libint_wrapper.mod base_hooks.mod mathconstants.mod input_constants.mod t_sh_p_s_c.mod gamma.mod t_c_g0.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_pair_list_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_pair_list_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cell_types.mod mp2_types.mod mathconstants.mod t_sh_p_s_c.mod t_c_g0.mod kinds.mod gamma.mod base_hooks.mod input_constants.mod libint_wrapper.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_pair_list_methods.F hfx_pair_list_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_pair_list_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:25:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_pair_list_methods.F90 /build/reproducible-path/cp2k-8.1/src/hfx_pair_list_methods.F:295:46: 295 | factor = factor*S1234*SQRT(tmp) | ^ Warning: 'factor' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_pair_list_methods.mod' due to: hfx_pair_list_methods.o /build/reproducible-path/cp2k-8.1/src/hfx_pair_list_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mp2_types.mod hfx_types.mod particle_types.mod cell_types.mod kinds.mod libint_wrapper.mod base_hooks.mod mathconstants.mod input_constants.mod t_sh_p_s_c.mod gamma.mod t_c_g0.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_pair_list_methods.mod' due to: hfx_pair_list_methods.o /build/reproducible-path/cp2k-8.1/src/hfx_pair_list_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cell_types.mod mp2_types.mod mathconstants.mod t_sh_p_s_c.mod t_c_g0.mod kinds.mod gamma.mod base_hooks.mod input_constants.mod libint_wrapper.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_load_balance_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_load_balance_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 cp_para_types.mod particle_types.mod cell_types.mod parallel_rng_types.mod hfx_types.mod kinds.mod util.mod cp_files.mod message_passing.mod hfx_pair_list_methods.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_load_balance_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_load_balance_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod parallel_rng_types.mod particle_types.mod cell_types.mod hfx_types.mod cp_files.mod kinds.mod base_hooks.mod input_constants.mod hfx_pair_list_methods.mod message_passing.mod util.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_load_balance_methods.F hfx_load_balance_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_load_balance_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:25:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_load_balance_methods.F90 /build/reproducible-path/cp2k-8.1/src/hfx_load_balance_methods.F:2360:45: 2360 | shm_bins_per_rank(i_thread + 1) = nbins @@ -42319,36 +42335,21 @@ 1546 | bin_histogram(my_process_id + 1, 1) = my_bin_size | ^ Warning: 'my_bin_size' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_load_balance_methods.mod' due to: hfx_load_balance_methods.o /build/reproducible-path/cp2k-8.1/src/hfx_load_balance_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 cp_para_types.mod particle_types.mod cell_types.mod parallel_rng_types.mod hfx_types.mod kinds.mod util.mod cp_files.mod message_passing.mod hfx_pair_list_methods.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_contraction_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F hfx_contraction_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:13:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_contraction_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_contraction_methods.mod' due to: hfx_contraction_methods.o /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_libint_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_libint_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cell_types.mod kinds.mod libint_wrapper.mod base_hooks.mod mathconstants.mod orbital_pointers.mod hfx_contraction_methods.mod input_constants.mod gamma.mod t_c_g0.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_libint_interface.F hfx_libint_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:14:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_libint_interface.F90 -/build/reproducible-path/cp2k-8.1/src/hfx_libint_interface.F:259:37: - - 259 | factor = factor*S1234*SQRT(tmp) - | ^ -Warning: 'factor' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_libint_interface.mod' due to: hfx_libint_interface.o /build/reproducible-path/cp2k-8.1/src/hfx_libint_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cell_types.mod kinds.mod libint_wrapper.mod base_hooks.mod mathconstants.mod orbital_pointers.mod hfx_contraction_methods.mod input_constants.mod gamma.mod t_c_g0.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_load_balance_methods.mod' due to: hfx_load_balance_methods.o /build/reproducible-path/cp2k-8.1/src/hfx_load_balance_methods.F /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod parallel_rng_types.mod particle_types.mod cell_types.mod hfx_types.mod cp_files.mod kinds.mod base_hooks.mod input_constants.mod hfx_pair_list_methods.mod message_passing.mod util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_screening_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_screening_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_environment_types.mod qs_kind_types.mod hfx_types.mod basis_set_types.mod kinds.mod ao_util.mod libint_wrapper.mod powell.mod hfx_libint_interface.mod base_hooks.mod orbital_pointers.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_screening_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_screening_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod hfx_types.mod qs_environment_types.mod hfx_libint_interface.mod powell.mod kinds.mod base_hooks.mod ao_util.mod machine.mod orbital_pointers.mod libint_wrapper.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_screening_methods.F hfx_screening_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:14:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_screening_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_screening_methods.mod' due to: hfx_screening_methods.o /build/reproducible-path/cp2k-8.1/src/hfx_screening_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_environment_types.mod qs_kind_types.mod hfx_types.mod basis_set_types.mod kinds.mod ao_util.mod libint_wrapper.mod powell.mod hfx_libint_interface.mod base_hooks.mod orbital_pointers.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:25:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_screening_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_screening_methods.mod' due to: hfx_screening_methods.o /build/reproducible-path/cp2k-8.1/src/hfx_screening_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod hfx_types.mod qs_environment_types.mod hfx_libint_interface.mod powell.mod kinds.mod base_hooks.mod ao_util.mod machine.mod orbital_pointers.mod libint_wrapper.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_communication.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_communication.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod hfx_types.mod kinds.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_communication.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_communication.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_control_types.mod cp_para_types.mod particle_types.mod hfx_types.mod qs_environment_types.mod kinds.mod base_hooks.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_communication.F hfx_communication.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:14:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_communication.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_communication.mod' due to: hfx_communication.o /build/reproducible-path/cp2k-8.1/src/hfx_communication.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod hfx_types.mod kinds.mod message_passing.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:25:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_communication.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_communication.mod' due to: hfx_communication.o /build/reproducible-path/cp2k-8.1/src/hfx_communication.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_control_types.mod cp_para_types.mod particle_types.mod hfx_types.mod qs_environment_types.mod kinds.mod base_hooks.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_derivatives.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_derivatives.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 atomic_kind_types.mod qs_force_types.mod admm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod virial_types.mod cp_para_types.mod hfx_types.mod kinds.mod hfx_load_balance_methods.mod message_passing.mod orbital_pointers.mod gamma.mod util.mod cp_files.mod cp_output_handling.mod hfx_libint_interface.mod hfx_pair_list_methods.mod base_hooks.mod mathconstants.mod machine.mod t_c_g0.mod cp_log_handling.mod input_constants.mod hfx_compression_methods.mod libint_wrapper.mod hfx_screening_methods.mod hfx_communication.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_derivatives.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_derivatives.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod admm_types.mod hfx_types.mod qs_force_types.mod cp_para_types.mod virial_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod util.mod hfx_compression_methods.mod hfx_libint_interface.mod hfx_load_balance_methods.mod hfx_pair_list_methods.mod orbital_pointers.mod cp_output_handling.mod libint_wrapper.mod machine.mod mathconstants.mod t_c_g0.mod kinds.mod base_hooks.mod cp_files.mod gamma.mod hfx_screening_methods.mod input_constants.mod hfx_communication.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_derivatives.F hfx_derivatives.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:14:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_derivatives.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:25:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_derivatives.F90 /build/reproducible-path/cp2k-8.1/src/hfx_derivatives.F:178:60: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & @@ -42572,175 +42573,16 @@ 194 | TYPE(hfx_cache_type), POINTER :: maxval_cache | ^ note: 'maxval_cache' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_derivatives.mod' due to: hfx_derivatives.o /build/reproducible-path/cp2k-8.1/src/hfx_derivatives.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 atomic_kind_types.mod qs_force_types.mod admm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod virial_types.mod cp_para_types.mod hfx_types.mod kinds.mod hfx_load_balance_methods.mod message_passing.mod orbital_pointers.mod gamma.mod util.mod cp_files.mod cp_output_handling.mod hfx_libint_interface.mod hfx_pair_list_methods.mod base_hooks.mod mathconstants.mod machine.mod t_c_g0.mod cp_log_handling.mod input_constants.mod hfx_compression_methods.mod libint_wrapper.mod hfx_screening_methods.mod hfx_communication.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_vxc.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_vxc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_dispersion_types.mod pw_pool_types.mod input_section_types.mod virial_types.mod qs_ks_types.mod cp_para_types.mod pw_types.mod cp_control_types.mod cell_types.mod pw_env_types.mod qs_rho_types.mod kinds.mod pw_grids.mod xc.mod pw_methods.mod base_hooks.mod input_constants.mod qs_dispersion_nonloc.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_vxc.F qs_vxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:14:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_vxc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_vxc.mod' due to: qs_vxc.o /build/reproducible-path/cp2k-8.1/src/qs_vxc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_dispersion_types.mod pw_pool_types.mod input_section_types.mod virial_types.mod qs_ks_types.mod cp_para_types.mod pw_types.mod cp_control_types.mod cell_types.mod pw_env_types.mod qs_rho_types.mod kinds.mod pw_grids.mod xc.mod pw_methods.mod base_hooks.mod input_constants.mod qs_dispersion_nonloc.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_vxc_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_linres_types.mod paw_proj_set_types.mod qs_kind_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod qs_rho_atom_types.mod input_section_types.mod cp_para_types.mod qs_local_rho_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod qs_harmonics_atom.mod util.mod xc_derivatives.mod base_hooks.mod xc_atom.mod memory_utilities.mod input_constants.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F qs_vxc_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_vxc_atom.F90 -/build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F:318:105: - - 318 | ir, rho_nlcc(:, 1), rho_h, rho_s, rho_nlcc(:, 2), drho_h, drho_s) - | ^ -Warning: 'rho_nlcc.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F:113:75: - - 113 | REAL(dp), DIMENSION(:, :), POINTER :: rho_h, rho_nlcc, rho_s, weight - | ^ -Warning: 'rho_nlcc.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F:113:75: Warning: 'rho_nlcc.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F:113:75: Warning: 'rho_nlcc.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_vxc_atom.mod' due to: qs_vxc_atom.o /build/reproducible-path/cp2k-8.1/src/qs_vxc_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_linres_types.mod paw_proj_set_types.mod qs_kind_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod qs_rho_atom_types.mod input_section_types.mod cp_para_types.mod qs_local_rho_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod qs_harmonics_atom.mod util.mod xc_derivatives.mod base_hooks.mod xc_atom.mod memory_utilities.mod input_constants.mod qs_grid_atom.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_adiabatic_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_mo_types.mod qs_environment_types.mod kinds.mod base_hooks.mod mathconstants.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_adiabatic_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_adiabatic_methods.mod' due to: xc_adiabatic_methods.o /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_mo_types.mod qs_environment_types.mod kinds.mod base_hooks.mod mathconstants.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_adiabatic_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod input_section_types.mod qs_ks_types.mod cp_para_types.mod pw_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_types.mod kinds.mod hfx_derivatives.mod qs_vxc.mod qs_vxc_atom.mod hfx_communication.mod base_hooks.mod input_constants.mod xc_adiabatic_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_adiabatic_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_adiabatic_utils.mod' due to: xc_adiabatic_utils.o /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod input_section_types.mod qs_ks_types.mod cp_para_types.mod pw_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_types.mod kinds.mod hfx_derivatives.mod qs_vxc.mod qs_vxc_atom.mod hfx_communication.mod base_hooks.mod input_constants.mod xc_adiabatic_methods.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_pw_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_pw_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod pw_types.mod pw_poisson_types.mod kinds.mod qs_collocate_density.mod cp_dbcsr_operations.mod cp_output_handling.mod base_hooks.mod mathconstants.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_pw_methods.F hfx_pw_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_pw_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_pw_methods.mod' due to: hfx_pw_methods.o /build/reproducible-path/cp2k-8.1/src/hfx_pw_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod pw_types.mod pw_poisson_types.mod kinds.mod qs_collocate_density.mod cp_dbcsr_operations.mod cp_output_handling.mod base_hooks.mod mathconstants.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_hash_table_functions.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_hash_table_functions.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_hash_table_functions.F qs_hash_table_functions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_hash_table_functions.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_hash_table_functions.mod' due to: qs_hash_table_functions.o /build/reproducible-path/cp2k-8.1/src/qs_hash_table_functions.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_nl_hash_table_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_nl_hash_table_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod kinds.mod base_hooks.mod qs_hash_table_functions.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_nl_hash_table_types.F qs_nl_hash_table_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_nl_hash_table_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_nl_hash_table_types.mod' due to: qs_nl_hash_table_types.o /build/reproducible-path/cp2k-8.1/src/qs_nl_hash_table_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod kinds.mod base_hooks.mod qs_hash_table_functions.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod cp_control_types.mod qs_environment_types.mod qs_nl_hash_table_types.mod sap_kind_types.mod qs_rho_atom_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_oce_types.mod virial_types.mod cp_para_types.mod basis_set_types.mod kinds.mod ao_util.mod message_passing.mod util.mod virial_methods.mod base_hooks.mod qs_oce_methods.mod cp_array_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_atom.F qs_ks_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ks_atom.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_atom.mod' due to: qs_ks_atom.o /build/reproducible-path/cp2k-8.1/src/qs_ks_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod cp_control_types.mod qs_environment_types.mod qs_nl_hash_table_types.mod sap_kind_types.mod qs_rho_atom_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_oce_types.mod virial_types.mod cp_para_types.mod basis_set_types.mod kinds.mod ao_util.mod message_passing.mod util.mod virial_methods.mod base_hooks.mod qs_oce_methods.mod cp_array_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gapw_densities.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gapw_densities.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod qs_rho_atom_types.mod qs_rho0_types.mod cp_para_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod qs_local_rho_types.mod kinds.mod qs_rho_atom_methods.mod message_passing.mod qs_rho0_methods.mod cp_log_handling.mod qs_rho0_ggrid.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gapw_densities.F qs_gapw_densities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_gapw_densities.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gapw_densities.mod' due to: qs_gapw_densities.o /build/reproducible-path/cp2k-8.1/src/qs_gapw_densities.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod qs_rho_atom_types.mod qs_rho0_types.mod cp_para_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod qs_local_rho_types.mod kinds.mod qs_rho_atom_methods.mod message_passing.mod qs_rho0_methods.mod cp_log_handling.mod qs_rho0_ggrid.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'admm_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/admm_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod distribution_1d_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_oce_types.mod molecule_types.mod qs_mo_types.mod qs_local_rho_types.mod distribution_2d_types.mod task_list_types.mod cp_para_types.mod pw_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod qs_rho_atom_methods.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod bibliography.mod qs_neighbor_lists.mod cp_output_handling.mod qs_vxc_atom.mod base_hooks.mod qs_ks_atom.mod task_list_methods.mod qs_oce_methods.mod cp_log_handling.mod qs_overlap.mod input_constants.mod cp_gemm_interface.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod qs_vxc.mod qs_gapw_densities.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/admm_methods.F admm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' admm_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'admm_methods.mod' due to: admm_methods.o /build/reproducible-path/cp2k-8.1/src/admm_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod distribution_1d_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_oce_types.mod molecule_types.mod qs_mo_types.mod qs_local_rho_types.mod distribution_2d_types.mod task_list_types.mod cp_para_types.mod pw_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod qs_rho_atom_methods.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod bibliography.mod qs_neighbor_lists.mod cp_output_handling.mod qs_vxc_atom.mod base_hooks.mod qs_ks_atom.mod task_list_methods.mod qs_oce_methods.mod cp_log_handling.mod qs_overlap.mod input_constants.mod cp_gemm_interface.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod qs_vxc.mod qs_gapw_densities.mod cp_dbcsr_output.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_external_control.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_external_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 global_types.mod kinds.mod cp_files.mod message_passing.mod cp_log_handling.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_external_control.F cp_external_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_external_control.F90 -/build/reproducible-path/cp2k-8.1/src/cp_external_control.F:208:53: - - 208 | time_check = m_walltime() - my_start_time - | ^ -Warning: 'my_start_time' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_external_control.mod' due to: cp_external_control.o /build/reproducible-path/cp2k-8.1/src/cp_external_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 global_types.mod kinds.mod cp_files.mod message_passing.mod cp_log_handling.mod base_hooks.mod machine.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'matrix_exp.o' due to: /build/reproducible-path/cp2k-8.1/src/matrix_exp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod cp_gemm_interface.mod cp_cfm_basic_linalg.mod kinds.mod message_passing.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod mathconstants.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/matrix_exp.F matrix_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' matrix_exp.F90 -/build/reproducible-path/cp2k-8.1/src/matrix_exp.F:518:89: - - 518 | Npq%local_data(:, k) = Npq%local_data(:, k) + scaleN*Tres%local_data(:, k) - | ^ -Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'matrix_exp.mod' due to: matrix_exp.o /build/reproducible-path/cp2k-8.1/src/matrix_exp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod cp_gemm_interface.mod cp_cfm_basic_linalg.mod kinds.mod message_passing.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod mathconstants.mod cp_fm_basic_linalg.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_localization_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cell_types.mod cp_fm_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_external_control.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod cp_log_handling.mod matrix_exp.mod cp_gemm_interface.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F qs_localization_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_localization_methods.F90 -/build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F:1802:71: - - 1802 | ii = nblock_max*ip_has_i + i - ns_bound(ip_has_i, 1) + 1 - | ^ -Warning: 'ip_has_i' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F:1374:64: - - 1374 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send, & - | ^ -Warning: 'gmat.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F:1374:64: Warning: 'gmat.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_localization_methods.mod' due to: qs_localization_methods.o /build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cell_types.mod cp_fm_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_external_control.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod cp_log_handling.mod matrix_exp.mod cp_gemm_interface.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_1d_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_loc_types.mod cell_types.mod block_p_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_fm_basic_linalg.mod qs_localization_methods.mod ai_moments.mod cp_files.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_gemm_interface.mod cp_array_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F qs_loc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_loc_utils.F90 -/build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F:819:13: - - 819 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F:539:25: - - 539 | IF (ABS(occ_imo - my_occ) > localized_wfn_control%eps_occ) THEN - | ^ -Warning: 'my_occ' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_utils.mod' due to: qs_loc_utils.o /build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_1d_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_loc_types.mod cell_types.mod block_p_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_fm_basic_linalg.mod qs_localization_methods.mod ai_moments.mod cp_files.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_gemm_interface.mod cp_array_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_cholesky.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cholesky.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod kinds.mod cp_blacs_env.mod cp_fm_struct.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:55 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_dbcsr_cholesky.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_cholesky.mod' due to: cp_dbcsr_cholesky.o /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cholesky.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod kinds.mod cp_blacs_env.mod cp_fm_struct.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_basic_linalg.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'motion_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod virial_types.mod particle_types.mod cell_types.mod force_env_types.mod kinds.mod particle_methods.mod cp2k_info.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod physcon.mod base_hooks.mod machine.mod input_constants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion_utils.F motion_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' motion_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'motion_utils.mod' due to: motion_utils.o /build/reproducible-path/cp2k-8.1/src/motion_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod virial_types.mod particle_types.mod cell_types.mod force_env_types.mod kinds.mod particle_methods.mod cp2k_info.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod physcon.mod base_hooks.mod machine.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_derivatives.mod' due to: hfx_derivatives.o /build/reproducible-path/cp2k-8.1/src/hfx_derivatives.F /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod admm_types.mod hfx_types.mod qs_force_types.mod cp_para_types.mod virial_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod util.mod hfx_compression_methods.mod hfx_libint_interface.mod hfx_load_balance_methods.mod hfx_pair_list_methods.mod orbital_pointers.mod cp_output_handling.mod libint_wrapper.mod machine.mod mathconstants.mod t_c_g0.mod kinds.mod base_hooks.mod cp_files.mod gamma.mod hfx_screening_methods.mod input_constants.mod hfx_communication.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod cp_fm_pool_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_collocate_density.mod string_utilities.mod cp_dbcsr_operations.mod qs_loc_utils.mod qs_localization_methods.mod motion_utils.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod qs_matrix_pools.mod physcon.mod particle_methods.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_gemm_interface.mod cp_units.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_methods.F qs_loc_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:15:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_loc_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_methods.mod' due to: qs_loc_methods.o /build/reproducible-path/cp2k-8.1/src/qs_loc_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod cp_fm_pool_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_collocate_density.mod string_utilities.mod cp_dbcsr_operations.mod qs_loc_utils.mod qs_localization_methods.mod motion_utils.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod qs_matrix_pools.mod physcon.mod particle_methods.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_gemm_interface.mod cp_units.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tensors.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tensors.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod qs_tensors_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod block_p_types.mod cell_types.mod kpoint_types.mod molecule_types.mod distribution_2d_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod ai_contraction.mod ai_contraction_sphi.mod orbital_pointers.mod gamma.mod ai_overlap.mod cp_files.mod qs_neighbor_lists.mod base_hooks.mod t_c_g0.mod libint_2c_3c.mod input_constants.mod hfx_compression_methods.mod libint_wrapper.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tensors.F qs_tensors.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:16:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tensors.F90 -/build/reproducible-path/cp2k-8.1/src/qs_tensors.F:782:53: - - 782 | ALLOCATE (ak%array(blk_cnt + 1)) - | ^ -Warning: 'blk_cnt' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_tensors.F:617:24: - - 617 | INTEGER :: blk_cnt, handle, i, i_img, iatom, iblk, ikind, iproc, j_img, jatom, jcell, jkind, & - | ^ -note: 'blk_cnt' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tensors.mod' due to: qs_tensors.o /build/reproducible-path/cp2k-8.1/src/qs_tensors.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod qs_tensors_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod block_p_types.mod cell_types.mod kpoint_types.mod molecule_types.mod distribution_2d_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod ai_contraction.mod ai_contraction_sphi.mod orbital_pointers.mod gamma.mod ai_overlap.mod cp_files.mod qs_neighbor_lists.mod base_hooks.mod t_c_g0.mod libint_2c_3c.mod input_constants.mod hfx_compression_methods.mod libint_wrapper.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_ri.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_ri.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod qs_tensors_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod distribution_2d_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod qs_loc_utils.mod util.mod iterate_matrix.mod cp_dbcsr_cholesky.mod arnoldi_api.mod base_hooks.mod machine.mod particle_methods.mod input_cp2k_hfx.mod qs_interactions.mod input_constants.mod cp_array_utils.mod qs_integral_utils.mod qs_loc_methods.mod qs_tensors.mod cp_dbcsr_diag.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_ri.F hfx_ri.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:16:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_ri.F90 -/build/reproducible-path/cp2k-8.1/src/hfx_ri.F:701:35: - - 701 | SUBROUTINE sort_unique_blkind_2d(blk_ind) - | ^ -Warning: 'sort_unique_blkind_2d' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/hfx_ri.F:863:70: - - 863 | DEALLOCATE (occupied_orbs, occupied_evals, homo_localized) - | ^ -Warning: 'occupied_orbs.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/hfx_ri.F:863:70: Warning: 'occupied_evals.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_ri.mod' due to: hfx_ri.o /build/reproducible-path/cp2k-8.1/src/hfx_ri.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod qs_tensors_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod distribution_2d_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod qs_loc_utils.mod util.mod iterate_matrix.mod cp_dbcsr_cholesky.mod arnoldi_api.mod base_hooks.mod machine.mod particle_methods.mod input_cp2k_hfx.mod qs_interactions.mod input_constants.mod cp_array_utils.mod qs_integral_utils.mod qs_loc_methods.mod qs_tensors.mod cp_dbcsr_diag.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_contract_block.o' due to: /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contract_block.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_contract_block.o' due to: /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contract_block.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contract_block.F hfx_contract_block.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:16:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/reproducible-path/cp2k-8.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_contract_block.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:25:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/reproducible-path/cp2k-8.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_contract_block.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_contract_block.mod' due to: hfx_contract_block.o /build/reproducible-path/cp2k-8.1/src/hfxbase/hfx_contract_block.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_energy_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_energy_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 atomic_kind_types.mod particle_types.mod cp_control_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod kpoint_types.mod cp_para_types.mod hfx_types.mod kinds.mod hfx_load_balance_methods.mod message_passing.mod orbital_pointers.mod gamma.mod util.mod bibliography.mod cp_files.mod cp_output_handling.mod hfx_libint_interface.mod hfx_pair_list_methods.mod base_hooks.mod mathconstants.mod machine.mod t_c_g0.mod cp_log_handling.mod input_constants.mod hfx_contract_block.mod hfx_compression_methods.mod libint_wrapper.mod hfx_screening_methods.mod hfx_communication.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_energy_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_energy_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_ks_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod util.mod hfx_compression_methods.mod hfx_libint_interface.mod hfx_load_balance_methods.mod bibliography.mod hfx_pair_list_methods.mod orbital_pointers.mod cp_output_handling.mod libint_wrapper.mod machine.mod mathconstants.mod t_c_g0.mod kinds.mod base_hooks.mod hfx_contract_block.mod cp_files.mod gamma.mod hfx_screening_methods.mod input_constants.mod hfx_communication.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_energy_potential.F hfx_energy_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:16:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_energy_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:26:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_energy_potential.F90 /build/reproducible-path/cp2k-8.1/src/hfx_energy_potential.F:205:74: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & @@ -42968,592 +42810,225 @@ 221 | TYPE(hfx_cache_type), POINTER :: maxval_cache, maxval_cache_disk | ^ note: 'maxval_cache_disk' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_energy_potential.mod' due to: hfx_energy_potential.o /build/reproducible-path/cp2k-8.1/src/hfx_energy_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 atomic_kind_types.mod particle_types.mod cp_control_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod kpoint_types.mod cp_para_types.mod hfx_types.mod kinds.mod hfx_load_balance_methods.mod message_passing.mod orbital_pointers.mod gamma.mod util.mod bibliography.mod cp_files.mod cp_output_handling.mod hfx_libint_interface.mod hfx_pair_list_methods.mod base_hooks.mod mathconstants.mod machine.mod t_c_g0.mod cp_log_handling.mod input_constants.mod hfx_contract_block.mod hfx_compression_methods.mod libint_wrapper.mod hfx_screening_methods.mod hfx_communication.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_energy_potential.mod' due to: hfx_energy_potential.o /build/reproducible-path/cp2k-8.1/src/hfx_energy_potential.F /build/reproducible-path/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_ks_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod util.mod hfx_compression_methods.mod hfx_libint_interface.mod hfx_load_balance_methods.mod bibliography.mod hfx_pair_list_methods.mod orbital_pointers.mod cp_output_handling.mod libint_wrapper.mod machine.mod mathconstants.mod t_c_g0.mod kinds.mod base_hooks.mod hfx_contract_block.mod cp_files.mod gamma.mod hfx_screening_methods.mod input_constants.mod hfx_communication.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_admm_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod rt_propagation_types.mod external_potential_types.mod basis_set_container_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod admm_dm_types.mod pw_poisson_types.mod qs_mo_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod hfx_types.mod qs_local_rho_types.mod basis_set_types.mod kinds.mod qs_rho_atom_methods.mod hfx_derivatives.mod xc_adiabatic_utils.mod hfx_pw_methods.mod admm_methods.mod base_hooks.mod hfx_ri.mod qs_interactions.mod cp_log_handling.mod input_constants.mod hfx_energy_potential.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F hfx_admm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hfx_admm_utils.F90 -/build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F:1214:25: - - 1214 | energy%ex = ehfx - | ^ -Warning: 'ehfx' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F:550:31: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'matrix_exp.o' due to: /build/reproducible-path/cp2k-8.1/src/matrix_exp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod cp_para_types.mod mathconstants.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_gemm_interface.mod kinds.mod cp_log_handling.mod message_passing.mod base_hooks.mod cp_cfm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/matrix_exp.F matrix_exp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:26:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' matrix_exp.F90 +/build/reproducible-path/cp2k-8.1/src/matrix_exp.F:518:89: - 550 | energy%ex = ehfx + ehfxrt - | ^ -Warning: 'ehfxrt' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_admm_utils.mod' due to: hfx_admm_utils.o /build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod rt_propagation_types.mod external_potential_types.mod basis_set_container_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod admm_dm_types.mod pw_poisson_types.mod qs_mo_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod hfx_types.mod qs_local_rho_types.mod basis_set_types.mod kinds.mod qs_rho_atom_methods.mod hfx_derivatives.mod xc_adiabatic_utils.mod hfx_pw_methods.mod admm_methods.mod base_hooks.mod hfx_ri.mod qs_interactions.mod cp_log_handling.mod input_constants.mod hfx_energy_potential.mod + 518 | Npq%local_data(:, k) = Npq%local_data(:, k) + scaleN*Tres%local_data(:, k) + | ^ +Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'matrix_exp.mod' due to: matrix_exp.o /build/reproducible-path/cp2k-8.1/src/matrix_exp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod cp_para_types.mod mathconstants.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_gemm_interface.mod kinds.mod cp_log_handling.mod message_passing.mod base_hooks.mod cp_cfm_basic_linalg.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_efield_berry.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_period_efield_types.mod qs_kind_types.mod cp_cfm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod block_p_types.mod cp_fm_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod ai_moments.mod cp_fm_struct.mod virial_methods.mod base_hooks.mod mathconstants.mod qs_moments.mod cp_gemm_interface.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F qs_efield_berry.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_efield_berry.F90 -/build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F:1050:95: - - 1050 | force_tmp(iatom, :, i) = force_tmp(iatom, :, i) - fab*hmat(i, idir)*forcea(:) - | ^ -Warning: 'force_tmp.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F:1050:95: Warning: 'force_tmp.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F:691:85: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_external_control.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_external_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 global_types.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_external_control.F cp_external_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:26:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_external_control.F90 +/build/reproducible-path/cp2k-8.1/src/cp_external_control.F:208:53: - 691 | REAL(dp), DIMENSION(:, :, :), POINTER :: dcosab, dsinab, force_tmp - | ^ -Warning: 'force_tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F:691:85: Warning: 'force_tmp.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_efield_berry.mod' due to: qs_efield_berry.o /build/reproducible-path/cp2k-8.1/src/qs_efield_berry.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_period_efield_types.mod qs_kind_types.mod cp_cfm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod block_p_types.mod cp_fm_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod ai_moments.mod cp_fm_struct.mod virial_methods.mod base_hooks.mod mathconstants.mod qs_moments.mod cp_gemm_interface.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'surface_dipole.o' due to: /build/reproducible-path/cp2k-8.1/src/surface_dipole.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod qs_energy_types.mod qs_subsys_types.mod pw_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod pw_env_types.mod qs_rho_types.mod kinds.mod kahan_sum.mod message_passing.mod pw_methods.mod base_hooks.mod mathconstants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/surface_dipole.F surface_dipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' surface_dipole.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'surface_dipole.mod' due to: surface_dipole.o /build/reproducible-path/cp2k-8.1/src/surface_dipole.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod qs_energy_types.mod qs_subsys_types.mod pw_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod pw_env_types.mod qs_rho_types.mod kinds.mod kahan_sum.mod message_passing.mod pw_methods.mod base_hooks.mod mathconstants.mod physcon.mod + 208 | time_check = m_walltime() - my_start_time + | ^ +Warning: 'my_start_time' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_external_control.mod' due to: cp_external_control.o /build/reproducible-path/cp2k-8.1/src/cp_external_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 global_types.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.f90 semi_empirical_types.mod kinds.mod semi_empirical_int3_utils.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_int_utils.F90 -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1214:38: - - 1214 | add = (pij + pkl)**2 - | ^ -Warning: 'pkl' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1214:38: Warning: 'pij' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:314:38: - - 314 | add = (pij + pkl)**2 - | ^ -Warning: 'pkl' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:314:38: Warning: 'pij' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:841:24: - - 841 | fact = fact*0.5_dp - | ^ -Warning: 'fact' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:875:37: - - 875 | IF (l1 == 0 .AND. l2 == 2 .AND. (m2 == CLMyy .OR. m2 == CLMxx)) THEN - | ^ -Warning: 'm2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:940:37: - - 940 | IF (l1 == 2 .AND. l2 == 2 .AND. (((m1 == CLMyy) .AND. (m2 == CLMyy)) .OR. ((m1 == CLMxx) .AND. (m2 == CLMxx)))) THEN - | ^ -Warning: 'm1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:843:23: - - 843 | IF (l1 == 0 .AND. l2 == 0) THEN - | ^ -Warning: 'l2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:849:37: - - 849 | IF (l1 == 0 .AND. l2 == 1 .AND. m2 == CLMz) THEN - | ^ -Warning: 'l1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:920:23: - - 920 | db = db/2.0_dp - | ^ -Warning: 'db' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:923:109: - - 923 | + add0/SQRT((r - db)**2 + (da + db)**2 + add)**3 - add0/SQRT((r + db)**2 + (da + db)**2 + add)**3 - | ^ -Warning: 'da' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:670:37: - - 670 | IF (l1 == 0 .AND. l2 == 2 .AND. (m2 == CLMyy .OR. m2 == CLMxx)) THEN - | ^ -Warning: 'm2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:735:37: - - 735 | IF (l1 == 2 .AND. l2 == 2 .AND. (((m1 == CLMyy) .AND. (m2 == CLMyy)) .OR. ((m1 == CLMxx) .AND. (m2 == CLMxx)))) THEN - | ^ -Warning: 'm1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:638:23: - - 638 | IF (l1 == 0 .AND. l2 == 0) THEN - | ^ -Warning: 'l2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:644:37: - - 644 | IF (l1 == 0 .AND. l2 == 1 .AND. m2 == CLMz) THEN - | ^ -Warning: 'l1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:640:28: - - 640 | charg = -charg*fact - | ^ -Warning: 'fact' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:715:23: - - 715 | db = db/2.0_dp - | ^ -Warning: 'db' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:718:117: - - 718 | + (r - db)/SQRT((r - db)**2 + (da + db)**2 + add)**3 - (r + db)/SQRT((r + db)**2 + (da + db)**2 + add)**3 - | ^ -Warning: 'da' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:467:37: - - 467 | IF (l1 == 0 .AND. l2 == 2 .AND. (m2 == CLMyy .OR. m2 == CLMxx)) THEN - | ^ -Warning: 'm2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:533:37: - - 533 | IF (l1 == 2 .AND. l2 == 2 .AND. (((m1 == CLMyy) .AND. (m2 == CLMyy)) .OR. ((m1 == CLMxx) .AND. (m2 == CLMxx)))) THEN - | ^ -Warning: 'm1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:436:23: - - 436 | IF (l1 == 0 .AND. l2 == 0) THEN - | ^ -Warning: 'l2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:441:37: - - 441 | IF (l1 == 0 .AND. l2 == 1 .AND. m2 == CLMz) THEN - | ^ -Warning: 'l1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:443:34: - - 443 | charg = charg*0.5_dp*fact - | ^ -Warning: 'fact' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:513:23: - - 513 | db = db/2.0_dp - | ^ -Warning: 'db' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:516:107: - - 516 | + 1.0_dp/SQRT((r - db)**2 + (da + db)**2 + add) - 1.0_dp/SQRT((r + db)**2 + (da + db)**2 + add) - | ^ -Warning: 'da' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1958:60: - - 1958 | d_d(:, 1, 5) = pt5sq3*(s2a_d*sb2 + s2a*sb2_d) - | ^ -Warning: 'sb2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1959:60: - - 1959 | d_d(:, 2, 5) = 0.5_dp*(s2a_d*s2b + s2a*s2b_d) - | ^ -Warning: 's2b' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1961:83: - - 1961 | d_d(:, 4, 5) = s2a_d*(cb2 + 0.5_dp*sb2) + s2a*(cb2_d + 0.5_dp*sb2_d) - | ^ -Warning: 's2a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1941:83: - - 1941 | d_d(:, 4, 1) = c2a_d*(cb2 + 0.5_dp*sb2) + c2a*(cb2_d + 0.5_dp*sb2_d) - | ^ -Warning: 'cb2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1954:49: - - 1954 | d_d(:, 2, 4) = sa_d*c2b + sa*c2b_d - | ^ -Warning: 'c2b' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1941:83: - - 1941 | d_d(:, 4, 1) = c2a_d*(cb2 + 0.5_dp*sb2) + c2a*(cb2_d + 0.5_dp*sb2_d) - | ^ -Warning: 'c2a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1911:37: - - 1911 | r_d = (/x11, x22, x33/)/r - | ^ -Warning: 'x33' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1912:48: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_localization_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod cp_para_types.mod cell_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod cp_cfm_diag.mod cp_blacs_env.mod machine.mod mathconstants.mod matrix_exp.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_cfm_basic_linalg.mod cp_external_control.mod cp_dbcsr_operations.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F qs_localization_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:26:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_localization_methods.F90 +/build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F:1802:71: - 1912 | b_d = 2.0_dp*(x11*x11_d + x22*x22_d) - | ^ -Warning: 'x22' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1912:48: Warning: 'x11' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F:1919:42: + 1802 | ii = nblock_max*ip_has_i + i - ns_bound(ip_has_i, 1) + 1 + | ^ +Warning: 'ip_has_i' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F:1374:64: - 1919 | sb_d = (sqb_d*r - sqb*r_d)*r2i - | ^ -Warning: 'sqb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_utils.mod' due to: semi_empirical_int_utils.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.f90 semi_empirical_types.mod kinds.mod semi_empirical_int3_utils.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod + 1374 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send, & + | ^ +Warning: 'gmat.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F:1374:64: Warning: 'gmat.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_localization_methods.mod' due to: qs_localization_methods.o /build/reproducible-path/cp2k-8.1/src/qs_localization_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod cp_para_types.mod cell_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod cp_cfm_diag.mod cp_blacs_env.mod machine.mod mathconstants.mod matrix_exp.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_cfm_basic_linalg.mod cp_external_control.mod cp_dbcsr_operations.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_num.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_num.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_args.f90 multipole_types.mod semi_empirical_types.mod taper_types.mod kinds.mod semi_empirical_int_utils.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_int_num.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_num.mod' due to: semi_empirical_int_num.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_num.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_args.f90 multipole_types.mod semi_empirical_types.mod taper_types.mod kinds.mod semi_empirical_int_utils.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'admm_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/admm_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 admm_types.mod cp_gemm_interface.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/admm_utils.F admm_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:26:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' admm_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'admm_utils.mod' due to: admm_utils.o /build/reproducible-path/cp2k-8.1/src/admm_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 admm_types.mod cp_gemm_interface.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_ana.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_args.f90 multipole_types.mod semi_empirical_types.mod taper_types.mod kinds.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_int_ana.F90 -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F:522:93: - - 522 | dscale = dscale + dzz*fnj1(ig)*EXP(-ax) - dax*zz*fnj1(ig)*EXP(-ax) - | ^ -Warning: 'dzz' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F:422:73: - - 422 | dscale = SIGN(1.0_dp, scale*tmp)*(dscale*tmp + scale*dtmp) - | ^ -Warning: 'dtmp' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F:216:57: - - 216 | tmp_d(3, m) = dcore(1, n)*drij(3) - | ^ -Warning: 'drij[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F:215:57: - - 215 | tmp_d(2, m) = dcore(1, n)*drij(2) - | ^ -Warning: 'drij[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F:214:57: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mo_occupation.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xas_env_types.mod qs_mo_types.mod scf_control_types.mod kinds.mod cp_log_handling.mod fermi_utils.mod input_constants.mod base_hooks.mod kahan_sum.mod util.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F qs_mo_occupation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:26:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mo_occupation.F90 +/build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F:157:26: - 214 | tmp_d(1, m) = dcore(1, n)*drij(1) - | ^ -Warning: 'drij[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_ana.mod' due to: semi_empirical_int_ana.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_ana.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_args.f90 multipole_types.mod semi_empirical_types.mod taper_types.mod kinds.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_gks.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_gks.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 multipole_types.mod pw_grid_types.mod pw_pool_types.mod dg_types.mod semi_empirical_types.mod semi_empirical_mpole_types.mod dg_rho0_types.mod kinds.mod base_hooks.mod mathconstants.mod semi_empirical_int_arrays.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_gks.F semi_empirical_int_gks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_int_gks.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_gks.mod' due to: semi_empirical_int_gks.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_gks.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 multipole_types.mod pw_grid_types.mod pw_pool_types.mod dg_types.mod semi_empirical_types.mod semi_empirical_mpole_types.mod dg_rho0_types.mod kinds.mod base_hooks.mod mathconstants.mod semi_empirical_int_arrays.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod kinds.mod semi_empirical_int_ana.mod memory_utilities.mod semi_empirical_int_num.mod base_hooks.mod input_constants.mod hfx_compression_methods.mod semi_empirical_int_gks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_integrals.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_integrals.mod' due to: semi_empirical_integrals.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod kinds.mod semi_empirical_int_ana.mod memory_utilities.mod semi_empirical_int_num.mod base_hooks.mod input_constants.mod hfx_compression_methods.mod semi_empirical_int_gks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/ewalds_multipole_sr.fypp semi_empirical_store_int_types.mod semi_empirical_types.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' se_fock_matrix_integrals.F90 -/build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F:1105:62: + 157 | homo_a = lfomo_a - 1 + | ^ +Warning: 'lfomo_a' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F:164:26: - 1105 | $: ewalds_multipole_sr_macro(mode="PURE_COULOMB") - | ^ -Warning: 'ch_j' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F:1105:62: Warning: 'ch_i' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_integrals.mod' due to: se_fock_matrix_integrals.o /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/ewalds_multipole_sr.fypp semi_empirical_store_int_types.mod semi_empirical_types.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod + 164 | homo_b = lfomo_b - 1 + | ^ +Warning: 'lfomo_b' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mo_occupation.mod' due to: qs_mo_occupation.o /build/reproducible-path/cp2k-8.1/src/qs_mo_occupation.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xas_env_types.mod qs_mo_types.mod scf_control_types.mod kinds.mod cp_log_handling.mod fermi_utils.mod input_constants.mod base_hooks.mod kahan_sum.mod util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_neighbor_list_control.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod input_section_types.mod fist_neighbor_list_types.mod cp_para_types.mod particle_types.mod pair_potential_types.mod cell_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod kinds.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod fist_neighbor_lists.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_neighbor_list_control.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_neighbor_list_control.mod' due to: fist_neighbor_list_control.o /build/reproducible-path/cp2k-8.1/src/fist_neighbor_list_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod input_section_types.mod fist_neighbor_list_types.mod cp_para_types.mod particle_types.mod pair_potential_types.mod cell_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod kinds.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod fist_neighbor_lists.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mo_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mo_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod scf_control_types.mod admm_utils.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_dbcsr_diag.mod message_passing.mod cp_blacs_env.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_mo_occupation.mod cp_fm_cholesky.mod physcon.mod cp_dbcsr_operations.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mo_methods.F qs_mo_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:26:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mo_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mo_methods.mod' due to: qs_mo_methods.o /build/reproducible-path/cp2k-8.1/src/qs_mo_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod scf_control_types.mod admm_utils.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_dbcsr_diag.mod message_passing.mod cp_blacs_env.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_mo_occupation.mod cp_fm_cholesky.mod physcon.mod cp_dbcsr_operations.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewalds_multipole.o' due to: /build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/ewalds_multipole_sr.fypp atomic_kind_types.mod pw_grid_types.mod dg_types.mod structure_factor_types.mod distribution_1d_types.mod ewald_pw_types.mod particle_types.mod parallel_rng_types.mod input_section_types.mod fist_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod damping_dipole_types.mod pw_pool_types.mod fist_nonbond_env_types.mod dg_rho0_types.mod kinds.mod message_passing.mod bibliography.mod base_hooks.mod mathconstants.mod structure_factors.mod cp_log_handling.mod fist_neighbor_list_control.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F ewalds_multipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ewalds_multipole.F90 -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:46: - - 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) - | ^ -Warning: 'tij' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:555:107: - - 555 | ptens12, ptens13, ptens21, ptens22, ptens23, ptens31, ptens32, ptens33, r, rab2, tij, & - | ^ -note: 'tij' was declared here -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:68: - - 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) - | ^ -Warning: 'ch_j' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:554:40: - - 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & - | ^ -note: 'ch_j' was declared here -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:68: - - 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) - | ^ -Warning: 'ch_i' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:554:34: - - 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & - | ^ -note: 'ch_i' was declared here -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:481:46: - - 481 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_GAUSS", damping=False, store_energy=True, store_forces=True) - | ^ -Warning: 'tij' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:382:32: - - 382 | rcut, tij, tmp, tmp1, tmp11, tmp12, tmp13, tmp2, tmp21, tmp22, tmp23, tmp31, tmp32, & - | ^ -note: 'tij' was declared here -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:481:62: - - 481 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_GAUSS", damping=False, store_energy=True, store_forces=True) - | ^ -Warning: 'ch_j' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:378:46: - - 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & - | ^ -note: 'ch_j' was declared here -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:481:62: - - 481 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_GAUSS", damping=False, store_energy=True, store_forces=True) - | ^ -Warning: 'ch_i' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:378:40: - - 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & - | ^ -note: 'ch_i' was declared here -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:75: - - 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) - | ^ -Warning: 'efield2_sr.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:161:70: - - 161 | efield2_sr - | ^ -note: 'efield2_sr.dim[1].stride' was declared here -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:75: - - 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) - | ^ -Warning: 'efield2_sr.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:161:70: - - 161 | efield2_sr - | ^ -note: 'efield2_sr.offset' was declared here -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:72: - - 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) - | ^ -Warning: 'efield1_sr.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:160:82: - - 160 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: efield1_lr, efield1_sr, efield2_lr, & - | ^ -note: 'efield1_sr.dim[1].stride' was declared here -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:600:72: - - 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) - | ^ -Warning: 'efield1_sr.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F:160:82: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_loc_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod distribution_1d_types.mod basis_set_types.mod block_p_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_localization_methods.mod message_passing.mod orbital_pointers.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_mo_methods.mod cp_files.mod cp_dbcsr_operations.mod ai_moments.mod input_constants.mod cp_array_utils.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F qs_loc_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:26:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_utils.F90 +/build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F:819:13: - 160 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: efield1_lr, efield1_sr, efield2_lr, & - | ^ -note: 'efield1_sr.offset' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewalds_multipole.mod' due to: ewalds_multipole.o /build/reproducible-path/cp2k-8.1/src/ewalds_multipole.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/ewalds_multipole_sr.fypp atomic_kind_types.mod pw_grid_types.mod dg_types.mod structure_factor_types.mod distribution_1d_types.mod ewald_pw_types.mod particle_types.mod parallel_rng_types.mod input_section_types.mod fist_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod damping_dipole_types.mod pw_pool_types.mod fist_nonbond_env_types.mod dg_rho0_types.mod kinds.mod message_passing.mod bibliography.mod base_hooks.mod mathconstants.mod structure_factors.mod cp_log_handling.mod fist_neighbor_list_control.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod distribution_1d_types.mod ewald_pw_types.mod qs_kind_types.mod semi_empirical_store_int_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod semi_empirical_mpole_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod multipole_types.mod virial_types.mod cp_para_types.mod semi_empirical_types.mod fist_nonbond_env_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod se_fock_matrix_integrals.mod message_passing.mod ewalds_multipole.mod cp_dbcsr_operations.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod cp_output_handling.mod semi_empirical_utils.mod virial_methods.mod base_hooks.mod semi_empirical_mpole_methods.mod cp_log_handling.mod input_constants.mod fist_neighbor_list_control.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:17:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' se_fock_matrix_coulomb.F90 -/build/reproducible-path/cp2k-8.1/src/se_fock_matrix_coulomb.F:494:50: + 819 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F:539:25: - 494 | INTEGER :: atom_a, ewald_type, forces_g_size, handle, iatom, ikind, ilist, indi, indj, & - | ^ -Warning: 'forces_g_size' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_coulomb.mod' due to: se_fock_matrix_coulomb.o /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod distribution_1d_types.mod ewald_pw_types.mod qs_kind_types.mod semi_empirical_store_int_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod semi_empirical_mpole_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod multipole_types.mod virial_types.mod cp_para_types.mod semi_empirical_types.mod fist_nonbond_env_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod se_fock_matrix_integrals.mod message_passing.mod ewalds_multipole.mod cp_dbcsr_operations.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod cp_output_handling.mod semi_empirical_utils.mod virial_methods.mod base_hooks.mod semi_empirical_mpole_methods.mod cp_log_handling.mod input_constants.mod fist_neighbor_list_control.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_dbg.o' due to: /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_dbg.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod semi_empirical_store_int_types.mod qs_environment_types.mod kinds.mod se_fock_matrix_coulomb.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' se_fock_matrix_dbg.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_dbg.mod' due to: se_fock_matrix_dbg.o /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_dbg.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod semi_empirical_store_int_types.mod qs_environment_types.mod kinds.mod se_fock_matrix_coulomb.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_exchange.o' due to: /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_exchange.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod semi_empirical_store_int_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod multipole_types.mod virial_types.mod cp_para_types.mod semi_empirical_types.mod kinds.mod se_fock_matrix_integrals.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod virial_methods.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' se_fock_matrix_exchange.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_exchange.mod' due to: se_fock_matrix_exchange.o /build/reproducible-path/cp2k-8.1/src/se_fock_matrix_exchange.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_kind_types.mod semi_empirical_store_int_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod multipole_types.mod virial_types.mod cp_para_types.mod semi_empirical_types.mod kinds.mod se_fock_matrix_integrals.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod virial_methods.mod base_hooks.mod input_constants.mod + 539 | IF (ABS(occ_imo - my_occ) > localized_wfn_control%eps_occ) THEN + | ^ +Warning: 'my_occ' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_utils.mod' due to: qs_loc_utils.o /build/reproducible-path/cp2k-8.1/src/qs_loc_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_loc_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod distribution_1d_types.mod basis_set_types.mod block_p_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_localization_methods.mod message_passing.mod orbital_pointers.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_mo_methods.mod cp_files.mod cp_dbcsr_operations.mod ai_moments.mod input_constants.mod cp_array_utils.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_fock_matrix.o' due to: /build/reproducible-path/cp2k-8.1/src/se_fock_matrix.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_rho_types.mod semi_empirical_store_int_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_mo_types.mod cp_para_types.mod atprop_types.mod kinds.mod se_fock_matrix_dbg.mod cp_output_handling.mod base_hooks.mod se_fock_matrix_coulomb.mod se_fock_matrix_exchange.mod cp_log_handling.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_fock_matrix.F se_fock_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' se_fock_matrix.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_fock_matrix.mod' due to: se_fock_matrix.o /build/reproducible-path/cp2k-8.1/src/se_fock_matrix.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_rho_types.mod semi_empirical_store_int_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_mo_types.mod cp_para_types.mod atprop_types.mod kinds.mod se_fock_matrix_dbg.mod cp_output_handling.mod base_hooks.mod se_fock_matrix_coulomb.mod se_fock_matrix_exchange.mod cp_log_handling.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_cholesky.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cholesky.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_dbcsr_cholesky.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_cholesky.mod' due to: cp_dbcsr_cholesky.o /build/reproducible-path/cp2k-8.1/src/cp_dbcsr_cholesky.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_sccs.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_sccs.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod qs_rho_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod particle_list_types.mod cp_subsys_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod kinds.mod message_passing.mod cp_output_handling.mod base_hooks.mod mathconstants.mod rs_methods.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod input_constants.mod kahan_sum.mod cp_units.mod cp_realspace_grid_cube.mod cp_realspace_grid_init.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_sccs.F qs_sccs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_sccs.F90 -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:355:38: - - 355 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:440:41: - - 440 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:723:38: - - 723 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:787:38: - - 787 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:823:38: - - 823 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:1228:81: - - 1228 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) - | ^ -Warning: 'q' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:1206:73: - - 1206 | ln_rho_min, q, rho, t, x, y - | ^ -note: 'q' was declared here -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:1228:81: - - 1228 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) - | ^ -Warning: 'ln_rho_max' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:1205:92: - - 1205 | REAL(KIND=dp) :: diff, e, eps_elec, f, ln_rho_max, & - | ^ -note: 'ln_rho_max' was declared here -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:972:63: - - 972 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) - | ^ -Warning: 'q' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:951:61: - - 951 | q, rho, t, x, y - | ^ -note: 'q' was declared here -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:972:63: - - 972 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) - | ^ -Warning: 'ln_rho_max' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:950:87: - - 950 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & - | ^ -note: 'ln_rho_max' was declared here -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:972:63: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tensors.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tensors.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod kpoint_types.mod particle_types.mod hfx_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod distribution_1d_types.mod basis_set_types.mod block_p_types.mod cp_control_types.mod qs_tensors_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_contraction.mod ai_overlap.mod hfx_compression_methods.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod qs_neighbor_lists.mod libint_wrapper.mod t_c_g0.mod kinds.mod base_hooks.mod ai_contraction_sphi.mod cp_files.mod gamma.mod libint_2c_3c.mod input_constants.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tensors.F qs_tensors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tensors.F90 +/build/reproducible-path/cp2k-8.1/src/qs_tensors.F:782:53: - 972 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) - | ^ -Warning: 'dq' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:950:68: + 782 | ALLOCATE (ak%array(blk_cnt + 1)) + | ^ +Warning: 'blk_cnt' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_tensors.F:617:24: - 950 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & - | ^ -note: 'dq' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_sccs.mod' due to: qs_sccs.o /build/reproducible-path/cp2k-8.1/src/qs_sccs.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod qs_rho_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod particle_list_types.mod cp_subsys_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod kinds.mod message_passing.mod cp_output_handling.mod base_hooks.mod mathconstants.mod rs_methods.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod input_constants.mod kahan_sum.mod cp_units.mod cp_realspace_grid_cube.mod cp_realspace_grid_init.mod + 617 | INTEGER :: blk_cnt, handle, i, i_img, iatom, iblk, ikind, iproc, j_img, jatom, jcell, jkind, & + | ^ +note: 'blk_cnt' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tensors.mod' due to: qs_tensors.o /build/reproducible-path/cp2k-8.1/src/qs_tensors.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod kpoint_types.mod particle_types.mod hfx_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod distribution_1d_types.mod basis_set_types.mod block_p_types.mod cp_control_types.mod qs_tensors_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_contraction.mod ai_overlap.mod hfx_compression_methods.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod qs_neighbor_lists.mod libint_wrapper.mod t_c_g0.mod kinds.mod base_hooks.mod ai_contraction_sphi.mod cp_files.mod gamma.mod libint_2c_3c.mod input_constants.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'efield_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/efield_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod cp_para_types.mod particle_types.mod cp_control_types.mod cell_types.mod pw_types.mod qs_kind_types.mod qs_environment_types.mod qs_rho_types.mod kinds.mod kahan_sum.mod message_passing.mod mathconstants.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/efield_utils.F efield_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' efield_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'efield_utils.mod' due to: efield_utils.o /build/reproducible-path/cp2k-8.1/src/efield_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod cp_para_types.mod particle_types.mod cp_control_types.mod cell_types.mod pw_types.mod qs_kind_types.mod qs_environment_types.mod qs_rho_types.mod kinds.mod kahan_sum.mod message_passing.mod mathconstants.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'realspace_grid_cube.mod' due to: realspace_grid_cube.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_efield_local.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_efield_local.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_period_efield_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod ai_moments.mod base_hooks.mod qs_moments.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_efield_local.F qs_efield_local.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_efield_local.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_efield_local.mod' due to: qs_efield_local.o /build/reproducible-path/cp2k-8.1/src/qs_efield_local.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_period_efield_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod ai_moments.mod base_hooks.mod qs_moments.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_realspace_grid_cube.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_cube.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_types.mod particle_list_types.mod kinds.mod base_hooks.mod realspace_grid_cube.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_realspace_grid_cube.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_realspace_grid_cube.mod' due to: cp_realspace_grid_cube.o /build/reproducible-path/cp2k-8.1/src/cp_realspace_grid_cube.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_types.mod particle_list_types.mod kinds.mod base_hooks.mod realspace_grid_cube.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb3_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb3_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod distribution_1d_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod qs_environment_types.mod sap_kind_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod virial_types.mod cp_para_types.mod atprop_types.mod kinds.mod message_passing.mod virial_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb3_methods.F qs_dftb3_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dftb3_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb3_methods.mod' due to: qs_dftb3_methods.o /build/reproducible-path/cp2k-8.1/src/qs_dftb3_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod distribution_1d_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod qs_environment_types.mod sap_kind_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod virial_types.mod cp_para_types.mod atprop_types.mod kinds.mod message_passing.mod virial_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_kind_types.mod qs_subsys_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod qs_loc_utils.mod cp_log_handling.mod qs_localization_methods.mod cp_units.mod motion_utils.mod cp_realspace_grid_cube.mod particle_methods.mod machine.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod physcon.mod qs_matrix_pools.mod cp_dbcsr_operations.mod qs_collocate_density.mod string_utilities.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_methods.F qs_loc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_methods.mod' due to: qs_loc_methods.o /build/reproducible-path/cp2k-8.1/src/qs_loc_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_kind_types.mod qs_subsys_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod qs_loc_utils.mod cp_log_handling.mod qs_localization_methods.mod cp_units.mod motion_utils.mod cp_realspace_grid_cube.mod particle_methods.mod machine.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod physcon.mod qs_matrix_pools.mod cp_dbcsr_operations.mod qs_collocate_density.mod string_utilities.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pme_tools.o' due to: /build/reproducible-path/cp2k-8.1/src/pme_tools.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod realspace_grid_types.mod particle_types.mod cell_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pme_tools.F pme_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pme_tools.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pme_tools.mod' due to: pme_tools.o /build/reproducible-path/cp2k-8.1/src/pme_tools.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod realspace_grid_types.mod particle_types.mod cell_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_ri.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_ri.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_loc_utils.mod cp_dbcsr_diag.mod message_passing.mod util.mod qs_interactions.mod cp_blacs_env.mod particle_methods.mod machine.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod arnoldi_api.mod input_cp2k_hfx.mod qs_tensors.mod cp_dbcsr_operations.mod iterate_matrix.mod qs_integral_utils.mod input_constants.mod cp_array_utils.mod qs_loc_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_ri.F hfx_ri.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_ri.F90 +/build/reproducible-path/cp2k-8.1/src/hfx_ri.F:701:35: + + 701 | SUBROUTINE sort_unique_blkind_2d(blk_ind) + | ^ +Warning: 'sort_unique_blkind_2d' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/hfx_ri.F:863:70: + + 863 | DEALLOCATE (occupied_orbs, occupied_evals, homo_localized) + | ^ +Warning: 'occupied_orbs.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/hfx_ri.F:863:70: Warning: 'occupied_evals.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_ri.mod' due to: hfx_ri.o /build/reproducible-path/cp2k-8.1/src/hfx_ri.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_loc_utils.mod cp_dbcsr_diag.mod message_passing.mod util.mod qs_interactions.mod cp_blacs_env.mod particle_methods.mod machine.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod arnoldi_api.mod input_cp2k_hfx.mod qs_tensors.mod cp_dbcsr_operations.mod iterate_matrix.mod qs_integral_utils.mod input_constants.mod cp_array_utils.mod qs_loc_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'spme.o' due to: /build/reproducible-path/cp2k-8.1/src/spme.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod shell_potential_types.mod ewald_pw_types.mod particle_types.mod cell_types.mod ewald_environment_types.mod pw_pool_types.mod realspace_grid_types.mod pw_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod pme_tools.mod bibliography.mod base_hooks.mod mathconstants.mod dgs.mod pw_poisson_methods.mod pw_methods.mod pw_grids.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/spme.F spme.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' spme.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'spme.mod' due to: spme.o /build/reproducible-path/cp2k-8.1/src/spme.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod shell_potential_types.mod ewald_pw_types.mod particle_types.mod cell_types.mod ewald_environment_types.mod pw_pool_types.mod realspace_grid_types.mod pw_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod pme_tools.mod bibliography.mod base_hooks.mod mathconstants.mod dgs.mod pw_poisson_methods.mod pw_methods.mod pw_grids.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_adiabatic_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod qs_environment_types.mod qs_energy_types.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_adiabatic_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_adiabatic_methods.mod' due to: xc_adiabatic_methods.o /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod qs_environment_types.mod qs_energy_types.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewald_methods_tb.o' due to: /build/reproducible-path/cp2k-8.1/src/ewald_methods_tb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod ewald_pw_types.mod particle_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod pw_pool_types.mod virial_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod pme_tools.mod spme.mod virial_methods.mod base_hooks.mod mathconstants.mod dgs.mod pw_poisson_methods.mod pw_methods.mod pw_grids.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewald_methods_tb.F ewald_methods_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ewald_methods_tb.F90 -/build/reproducible-path/cp2k-8.1/src/ewald_methods_tb.F:392:58: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_adiabatic_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod qs_energy_types.mod kinds.mod qs_vxc.mod hfx_derivatives.mod qs_vxc_atom.mod input_constants.mod base_hooks.mod xc_adiabatic_methods.mod hfx_communication.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_adiabatic_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_adiabatic_utils.mod' due to: xc_adiabatic_utils.o /build/reproducible-path/cp2k-8.1/src/xc_adiabatic_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod qs_energy_types.mod kinds.mod qs_vxc.mod hfx_derivatives.mod qs_vxc_atom.mod input_constants.mod base_hooks.mod xc_adiabatic_methods.mod hfx_communication.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_pw_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_pw_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_grid_types.mod pw_types.mod qs_kind_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod pw_poisson_methods.mod pw_methods.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_collocate_density.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_pw_methods.F hfx_pw_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_pw_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_pw_methods.mod' due to: hfx_pw_methods.o /build/reproducible-path/cp2k-8.1/src/hfx_pw_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_grid_types.mod pw_types.mod qs_kind_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod pw_poisson_methods.mod pw_methods.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_collocate_density.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hfx_admm_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod pw_poisson_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod admm_types.mod pw_env_types.mod hfx_types.mod rt_propagation_types.mod qs_force_types.mod pw_types.mod admm_dm_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod basis_set_container_types.mod qs_local_rho_types.mod qs_environment_types.mod admm_methods.mod cp_log_handling.mod hfx_derivatives.mod hfx_energy_potential.mod qs_interactions.mod hfx_ri.mod xc_adiabatic_utils.mod kinds.mod base_hooks.mod input_constants.mod qs_rho_atom_methods.mod hfx_pw_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F hfx_admm_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_admm_utils.F90 +/build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F:1214:25: - 392 | pfr = -dfr*mcharge(iatom)*mcharge(jatom) - | ^ -Warning: 'dfr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewald_methods_tb.mod' due to: ewald_methods_tb.o /build/reproducible-path/cp2k-8.1/src/ewald_methods_tb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod ewald_pw_types.mod particle_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod pw_pool_types.mod virial_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod pme_tools.mod spme.mod virial_methods.mod base_hooks.mod mathconstants.mod dgs.mod pw_poisson_methods.mod pw_methods.mod pw_grids.mod + 1214 | energy%ex = ehfx + | ^ +Warning: 'ehfx' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F:550:31: + + 550 | energy%ex = ehfx + ehfxrt + | ^ +Warning: 'ehfxrt' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hfx_admm_utils.mod' due to: hfx_admm_utils.o /build/reproducible-path/cp2k-8.1/src/hfx_admm_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod pw_poisson_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod admm_types.mod pw_env_types.mod hfx_types.mod rt_propagation_types.mod qs_force_types.mod pw_types.mod admm_dm_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod basis_set_container_types.mod qs_local_rho_types.mod qs_environment_types.mod admm_methods.mod cp_log_handling.mod hfx_derivatives.mod hfx_energy_potential.mod qs_interactions.mod hfx_ri.mod xc_adiabatic_utils.mod kinds.mod base_hooks.mod input_constants.mod qs_rho_atom_methods.mod hfx_pw_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_tb_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_tb_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod distribution_1d_types.mod ewald_pw_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod cell_types.mod ewald_environment_types.mod virial_types.mod cp_para_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod message_passing.mod base_hooks.mod mathconstants.mod ewald_methods_tb.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_tb_coulomb.F qmmm_tb_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_tb_coulomb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_tb_coulomb.mod' due to: qmmm_tb_coulomb.o /build/reproducible-path/cp2k-8.1/src/qmmm_tb_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod distribution_1d_types.mod ewald_pw_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod cell_types.mod ewald_environment_types.mod virial_types.mod cp_para_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod message_passing.mod base_hooks.mod mathconstants.mod ewald_methods_tb.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rtp_admm_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/rtp_admm_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod rt_propagation_types.mod pw_types.mod cp_para_types.mod task_list_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod hfx_admm_utils.mod mathconstants.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod qs_collocate_density.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rtp_admm_methods.F rtp_admm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rtp_admm_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rtp_admm_methods.mod' due to: rtp_admm_methods.o /build/reproducible-path/cp2k-8.1/src/rtp_admm_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod rt_propagation_types.mod pw_types.mod cp_para_types.mod task_list_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod hfx_admm_utils.mod mathconstants.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod qs_collocate_density.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xtb_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/xtb_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod xtb_types.mod distribution_1d_types.mod ewald_pw_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod sap_kind_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod kpoint_types.mod virial_types.mod cp_para_types.mod atprop_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod ai_contraction.mod message_passing.mod orbital_pointers.mod qs_dftb3_methods.mod ai_overlap.mod virial_methods.mod base_hooks.mod mathconstants.mod ewald_methods_tb.mod qs_integral_utils.mod qmmm_tb_coulomb.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xtb_coulomb.F xtb_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xtb_coulomb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xtb_coulomb.mod' due to: xtb_coulomb.o /build/reproducible-path/cp2k-8.1/src/xtb_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod xtb_types.mod distribution_1d_types.mod ewald_pw_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod sap_kind_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod kpoint_types.mod virial_types.mod cp_para_types.mod atprop_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod ai_contraction.mod message_passing.mod orbital_pointers.mod qs_dftb3_methods.mod ai_overlap.mod virial_methods.mod base_hooks.mod mathconstants.mod ewald_methods_tb.mod qs_integral_utils.mod qmmm_tb_coulomb.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_ddapc_forces.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_ddapc_forces.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_force_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_environment_types.mod mathconstants.mod kinds.mod pw_spline_utils.mod base_hooks.mod input_constants.mod message_passing.mod spherical_harmonics.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_ddapc_forces.F cp_ddapc_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_ddapc_forces.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_ddapc_forces.mod' due to: cp_ddapc_forces.o /build/reproducible-path/cp2k-8.1/src/cp_ddapc_forces.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_force_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_environment_types.mod mathconstants.mod kinds.mod pw_spline_utils.mod base_hooks.mod input_constants.mod message_passing.mod spherical_harmonics.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mulliken.o' due to: /build/reproducible-path/cp2k-8.1/src/mulliken.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod particle_types.mod cp_control_types.mod qs_kind_types.mod kinds.mod atomic_charges.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mulliken.F mulliken.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mulliken.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mulliken.mod' due to: mulliken.o /build/reproducible-path/cp2k-8.1/src/mulliken.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod particle_types.mod cp_control_types.mod qs_kind_types.mod kinds.mod atomic_charges.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_ddapc_util.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_ddapc_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_ddapc_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod qs_charges_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod atomic_charges.mod cp_log_handling.mod message_passing.mod pw_methods.mod cp_ddapc_forces.mod cp_ddapc_methods.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_ddapc_util.F cp_ddapc_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_ddapc_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_ddapc_util.mod' due to: cp_ddapc_util.o /build/reproducible-path/cp2k-8.1/src/cp_ddapc_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_ddapc_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod qs_charges_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod atomic_charges.mod cp_log_handling.mod message_passing.mod pw_methods.mod cp_ddapc_forces.mod cp_ddapc_methods.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_charge_mixing.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_charge_mixing.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_density_mixing_types.mod cp_para_types.mod kinds.mod message_passing.mod base_hooks.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_charge_mixing.F qs_charge_mixing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_charge_mixing.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_charge_mixing.mod' due to: qs_charge_mixing.o /build/reproducible-path/cp2k-8.1/src/qs_charge_mixing.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_density_mixing_types.mod cp_para_types.mod kinds.mod message_passing.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_ddapc.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_ddapc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_pool_types.mod particle_types.mod pw_types.mod qs_energy_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod cp_ddapc_util.mod pw_methods.mod bibliography.mod cp_ddapc_forces.mod cp_output_handling.mod kinds.mod base_hooks.mod qs_integrate_potential.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_ddapc.F cp_ddapc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_ddapc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_ddapc.mod' due to: cp_ddapc.o /build/reproducible-path/cp2k-8.1/src/cp_ddapc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_pool_types.mod particle_types.mod pw_types.mod qs_energy_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod cp_ddapc_util.mod pw_methods.mod bibliography.mod cp_ddapc_forces.mod cp_output_handling.mod kinds.mod base_hooks.mod qs_integrate_potential.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'efield_tb_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/efield_tb_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_period_efield_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod virial_types.mod cp_para_types.mod kinds.mod message_passing.mod virial_methods.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/efield_tb_methods.F efield_tb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' efield_tb_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'efield_tb_methods.mod' due to: efield_tb_methods.o /build/reproducible-path/cp2k-8.1/src/efield_tb_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_period_efield_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod virial_types.mod cp_para_types.mod kinds.mod message_passing.mod virial_methods.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_qmmm_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod qmmm_types_low.mod cp_control_types.mod pw_pool_types.mod pw_env_types.mod qs_ks_qmmm_types.mod qs_environment_types.mod cube_utils.mod kinds.mod cp_log_handling.mod d3_poly.mod base_hooks.mod input_constants.mod pw_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_qmmm_methods.mod' due to: qs_ks_qmmm_methods.o /build/reproducible-path/cp2k-8.1/src/qs_ks_qmmm_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod qmmm_types_low.mod cp_control_types.mod pw_pool_types.mod pw_env_types.mod qs_ks_qmmm_types.mod qs_environment_types.mod cube_utils.mod kinds.mod cp_log_handling.mod d3_poly.mod base_hooks.mod input_constants.mod pw_methods.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xtb_matrices.o' due to: /build/reproducible-path/cp2k-8.1/src/xtb_matrices.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod xtb_types.mod qs_kind_types.mod qs_rho_types.mod qs_dispersion_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod pair_potential_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod block_p_types.mod ewald_environment_types.mod kpoint_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod atprop_types.mod basis_set_types.mod kinds.mod ai_contraction.mod message_passing.mod cp_blacs_env.mod pair_potential.mod string_utilities.mod xtb_coulomb.mod cp_dbcsr_operations.mod orbital_pointers.mod fparser.mod ai_overlap.mod mulliken.mod cp_output_handling.mod qs_condnum.mod qs_charge_mixing.mod virial_methods.mod base_hooks.mod qs_dispersion_pairpot.mod cp_log_handling.mod efield_tb_methods.mod pair_potential_util.mod qs_overlap.mod qs_integral_utils.mod cp_dbcsr_cp2k_link.mod xtb_parameters.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xtb_matrices.F xtb_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xtb_matrices.F90 -/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:1466:22: - - 1466 | IF (iw > 0) WRITE (iw, *) "TESTING ", TRIM(name_atm_a), TRIM(name_atm_b), & - | ^ -Warning: 'iw' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:1442:75: - - 1442 | INTEGER :: ikind, ingp, iw, jkind - | ^ -note: 'iw' was declared here -/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:1517:94: - - 1517 | SUBROUTINE xb_interaction(exb, neighbor_atoms, atom_of_kind, kind_of, sab_xb, kx, kx2, rcab, & - | ^ -Warning: 'rcab.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:161:95: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod pw_poisson_types.mod ps_implicit_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod admm_types.mod pw_env_types.mod qs_charges_types.mod pw_grid_types.mod pw_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod lri_environment_types.mod qs_cdft_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod lri_forces.mod cp_log_handling.mod xc.mod message_passing.mod pw_poisson_methods.mod lri_ks_methods.mod cp_ddapc.mod kahan_sum.mod pw_methods.mod cp_output_handling.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_integrate_potential.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_ks_qmmm_methods.mod input_constants.mod lri_environment_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F qs_ks_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_utils.F90 +/build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F:1344:77: - 161 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: dfblock, huckel, kcnlk, owork, rcab - | ^ -note: 'rcab.dim[1].stride' was declared here -/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:1399:19: + 1344 | cdft_control%strength(igroup) + | ^ +Warning: 'sign' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F:801:57: - 1399 | IF (use_virial) THEN - | ^ -Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xtb_matrices.F:154:46: + 801 | energy%hartree = energy%hartree + full_scaling*ener + | ^ +Warning: 'full_scaling' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F:797:56: - 154 | omit_headers, use_arnoldi, use_virial, xb_inter - | ^ -note: 'use_virial' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xtb_matrices.mod' due to: xtb_matrices.o /build/reproducible-path/cp2k-8.1/src/xtb_matrices.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod xtb_types.mod qs_kind_types.mod qs_rho_types.mod qs_dispersion_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod pair_potential_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod block_p_types.mod ewald_environment_types.mod kpoint_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod atprop_types.mod basis_set_types.mod kinds.mod ai_contraction.mod message_passing.mod cp_blacs_env.mod pair_potential.mod string_utilities.mod xtb_coulomb.mod cp_dbcsr_operations.mod orbital_pointers.mod fparser.mod ai_overlap.mod mulliken.mod cp_output_handling.mod qs_condnum.mod qs_charge_mixing.mod virial_methods.mod base_hooks.mod qs_dispersion_pairpot.mod cp_log_handling.mod efield_tb_methods.mod pair_potential_util.mod qs_overlap.mod qs_integral_utils.mod cp_dbcsr_cp2k_link.mod xtb_parameters.mod cp_dbcsr_output.mod + 797 | full_scaling = -dft_control%sic_scaling_a*nelec + | ^ +Warning: 'nelec' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_utils.mod' due to: qs_ks_utils.o /build/reproducible-path/cp2k-8.1/src/qs_ks_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod pw_poisson_types.mod ps_implicit_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod admm_types.mod pw_env_types.mod qs_charges_types.mod pw_grid_types.mod pw_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod lri_environment_types.mod qs_cdft_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod lri_forces.mod cp_log_handling.mod xc.mod message_passing.mod pw_poisson_methods.mod lri_ks_methods.mod cp_ddapc.mod kahan_sum.mod pw_methods.mod cp_output_handling.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_integrate_potential.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_ks_qmmm_methods.mod input_constants.mod lri_environment_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hartree_local_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hartree_local_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod hartree_local_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_rho0_types.mod cell_types.mod cp_para_types.mod atprop_types.mod pw_poisson_types.mod qs_local_rho_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod qs_harmonics_atom.mod util.mod base_hooks.mod mathconstants.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hartree_local_methods.F hartree_local_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hartree_local_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hartree_local_methods.mod' due to: hartree_local_methods.o /build/reproducible-path/cp2k-8.1/src/hartree_local_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod hartree_local_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_rho0_types.mod cell_types.mod cp_para_types.mod atprop_types.mod pw_poisson_types.mod qs_local_rho_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod qs_harmonics_atom.mod util.mod base_hooks.mod mathconstants.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_efield_local.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_efield_local.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_period_efield_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod qs_moments.mod orbital_pointers.mod kinds.mod base_hooks.mod ai_moments.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_efield_local.F qs_efield_local.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_efield_local.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_efield_local.mod' due to: qs_efield_local.o /build/reproducible-path/cp2k-8.1/src/qs_efield_local.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_period_efield_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod qs_moments.mod orbital_pointers.mod kinds.mod base_hooks.mod ai_moments.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hirshfeld_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hirshfeld_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod hirshfeld_types.mod cp_control_types.mod qs_environment_types.mod cell_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod ao_util.mod message_passing.mod atom_kind_orbitals.mod base_hooks.mod mathconstants.mod grid_api.mod pw_methods.mod input_constants.mod cube_utils.mod cp_units.mod periodic_table.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hirshfeld_methods.F hirshfeld_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' hirshfeld_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hirshfeld_methods.mod' due to: hirshfeld_methods.o /build/reproducible-path/cp2k-8.1/src/hirshfeld_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod hirshfeld_types.mod cp_control_types.mod qs_environment_types.mod cell_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod ao_util.mod message_passing.mod atom_kind_orbitals.mod base_hooks.mod mathconstants.mod grid_api.mod pw_methods.mod input_constants.mod cube_utils.mod cp_units.mod periodic_table.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'surface_dipole.o' due to: /build/reproducible-path/cp2k-8.1/src/surface_dipole.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_types.mod pw_pool_types.mod pw_env_types.mod cell_types.mod qs_subsys_types.mod qs_energy_types.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod kahan_sum.mod message_passing.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/surface_dipole.F surface_dipole.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' surface_dipole.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'surface_dipole.mod' due to: surface_dipole.o /build/reproducible-path/cp2k-8.1/src/surface_dipole.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_types.mod pw_pool_types.mod pw_env_types.mod cell_types.mod qs_subsys_types.mod qs_energy_types.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod kahan_sum.mod message_passing.mod physcon.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_image_charge.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_image_charge.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod qmmm_types_low.mod pw_pool_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod virial_types.mod qs_energy_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod ao_util.mod message_passing.mod util.mod pw_poisson_methods.mod cp_eri_mme_interface.mod pw_methods.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod eri_mme_integrate.mod qs_integrate_potential.mod cp_files.mod qs_collocate_density.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_image_charge.F qmmm_image_charge.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:27:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_image_charge.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_image_charge.mod' due to: qmmm_image_charge.o /build/reproducible-path/cp2k-8.1/src/qmmm_image_charge.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod qmmm_types_low.mod pw_pool_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod virial_types.mod qs_energy_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod ao_util.mod message_passing.mod util.mod pw_poisson_methods.mod cp_eri_mme_interface.mod pw_methods.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod eri_mme_integrate.mod qs_integrate_potential.mod cp_files.mod qs_collocate_density.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mo_io.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mo_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod qs_dftb_types.mod basis_set_types.mod kinds.mod message_passing.mod string_utilities.mod cp_dbcsr_operations.mod orbital_transformation_matrices.mod qs_mo_occupation.mod orbital_pointers.mod cp_files.mod cp_output_handling.mod qs_mo_methods.mod qs_dftb_utils.mod base_hooks.mod physcon.mod cp_log_handling.mod kahan_sum.mod orbital_symbols.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mo_io.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mo_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod qs_dftb_types.mod cp_log_handling.mod message_passing.mod kahan_sum.mod orbital_pointers.mod cp_output_handling.mod qs_dftb_utils.mod orbital_symbols.mod kinds.mod base_hooks.mod qs_mo_occupation.mod physcon.mod orbital_transformation_matrices.mod qs_mo_methods.mod cp_files.mod cp_dbcsr_operations.mod string_utilities.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mo_io.F qs_mo_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:18:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_mo_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:28:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mo_io.F90 /build/reproducible-path/cp2k-8.1/src/qs_mo_io.F:679:32: 679 | nspin_read, offset_read, source @@ -43636,21 +43111,133 @@ 1259 | (cmatrix(irow, jcol), jcol=from, to) | ^ Warning: 'cmatrix.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mo_io.mod' due to: qs_mo_io.o /build/reproducible-path/cp2k-8.1/src/qs_mo_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod qs_dftb_types.mod basis_set_types.mod kinds.mod message_passing.mod string_utilities.mod cp_dbcsr_operations.mod orbital_transformation_matrices.mod qs_mo_occupation.mod orbital_pointers.mod cp_files.mod cp_output_handling.mod qs_mo_methods.mod qs_dftb_utils.mod base_hooks.mod physcon.mod cp_log_handling.mod kahan_sum.mod orbital_symbols.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mo_io.mod' due to: qs_mo_io.o /build/reproducible-path/cp2k-8.1/src/qs_mo_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod qs_dftb_types.mod cp_log_handling.mod message_passing.mod kahan_sum.mod orbital_pointers.mod cp_output_handling.mod qs_dftb_utils.mod orbital_symbols.mod kinds.mod base_hooks.mod qs_mo_occupation.mod physcon.mod orbital_transformation_matrices.mod qs_mo_methods.mod cp_files.mod cp_dbcsr_operations.mod string_utilities.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_image_charge.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_image_charge.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod cell_types.mod pw_pool_types.mod virial_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod kinds.mod ao_util.mod message_passing.mod util.mod cp_files.mod cp_eri_mme_interface.mod qs_integrate_potential.mod cp_output_handling.mod base_hooks.mod mathconstants.mod pw_poisson_methods.mod eri_mme_integrate.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod input_constants.mod qs_collocate_density.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_image_charge.F qmmm_image_charge.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_image_charge.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_image_charge.mod' due to: qmmm_image_charge.o /build/reproducible-path/cp2k-8.1/src/qmmm_image_charge.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod cell_types.mod pw_pool_types.mod virial_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod kinds.mod ao_util.mod message_passing.mod util.mod cp_files.mod cp_eri_mme_interface.mod qs_integrate_potential.mod cp_output_handling.mod base_hooks.mod mathconstants.mod pw_poisson_methods.mod eri_mme_integrate.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod input_constants.mod qs_collocate_density.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_output.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod qs_cdft_types.mod qs_energy_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod ps_implicit_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_mo_types.mod scf_control_types.mod qs_cdft_opt_types.mod cp_para_types.mod pw_poisson_types.mod kinds.mod cp_output_handling.mod qs_mo_methods.mod base_hooks.mod machine.mod physcon.mod qs_mo_io.mod cp_log_handling.mod input_constants.mod qmmm_image_charge.mod kahan_sum.mod cp_units.mod cp_dbcsr_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_output.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod ps_implicit_types.mod qs_scf_types.mod qs_cdft_opt_types.mod qs_mo_types.mod particle_types.mod pw_env_types.mod qs_charges_types.mod cp_para_types.mod qs_kind_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_cdft_types.mod qs_environment_types.mod cp_log_handling.mod cp_dbcsr_output.mod cp_units.mod kahan_sum.mod machine.mod cp_output_handling.mod qs_mo_io.mod kinds.mod base_hooks.mod qmmm_image_charge.mod physcon.mod qs_mo_methods.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_output.F qs_scf_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_output.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_output.mod' due to: qs_scf_output.o /build/reproducible-path/cp2k-8.1/src/qs_scf_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod qs_cdft_types.mod qs_energy_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod ps_implicit_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_mo_types.mod scf_control_types.mod qs_cdft_opt_types.mod cp_para_types.mod pw_poisson_types.mod kinds.mod cp_output_handling.mod qs_mo_methods.mod base_hooks.mod machine.mod physcon.mod qs_mo_io.mod cp_log_handling.mod input_constants.mod qmmm_image_charge.mod kahan_sum.mod cp_units.mod cp_dbcsr_output.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:28:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_output.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_output.mod' due to: qs_scf_output.o /build/reproducible-path/cp2k-8.1/src/qs_scf_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod ps_implicit_types.mod qs_scf_types.mod qs_cdft_opt_types.mod qs_mo_types.mod particle_types.mod pw_env_types.mod qs_charges_types.mod cp_para_types.mod qs_kind_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_cdft_types.mod qs_environment_types.mod cp_log_handling.mod cp_dbcsr_output.mod cp_units.mod kahan_sum.mod machine.mod cp_output_handling.mod qs_mo_io.mod kinds.mod base_hooks.mod qmmm_image_charge.mod physcon.mod qs_mo_methods.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_optimization.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_optimization.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atom_types.mod lapack.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_optimization.F atom_optimization.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:28:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_optimization.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_optimization.mod' due to: atom_optimization.o /build/reproducible-path/cp2k-8.1/src/atom_optimization.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atom_types.mod lapack.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_xc.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_xc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_derivative_types.mod xc_rho_cflags_types.mod mathconstants.mod cp_files.mod kinds.mod xc_derivatives.mod base_hooks.mod input_constants.mod xc_atom.mod atom_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_xc.F atom_xc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:28:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_xc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_xc.mod' due to: atom_xc.o /build/reproducible-path/cp2k-8.1/src/atom_xc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_derivative_types.mod xc_rho_cflags_types.mod mathconstants.mod cp_files.mod kinds.mod xc_derivatives.mod base_hooks.mod input_constants.mod xc_atom.mod atom_utils.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_parsing.mod' due to: input_parsing.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_check.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_check.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod memory_utilities.mod kinds.mod cp_log_handling.mod xc_input_constants.mod input_constants.mod base_hooks.mod input_parsing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_check.F input_cp2k_check.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:28:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_check.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_check.mod' due to: input_cp2k_check.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_check.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod memory_utilities.mod kinds.mod cp_log_handling.mod xc_input_constants.mod input_constants.mod base_hooks.mod input_parsing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_output.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_cp2k_check.mod mathconstants.mod cp_files.mod periodic_table.mod kinds.mod xc_derivatives.mod base_hooks.mod input_constants.mod xc_libxc.mod atom_utils.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_output.F atom_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:28:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_output.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_output.mod' due to: atom_output.o /build/reproducible-path/cp2k-8.1/src/atom_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_cp2k_check.mod mathconstants.mod cp_files.mod periodic_table.mod kinds.mod xc_derivatives.mod base_hooks.mod input_constants.mod xc_libxc.mod atom_utils.mod physcon.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_electronic_structure.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_optimization.mod atom_xc.mod kinds.mod atom_output.mod base_hooks.mod input_constants.mod atom_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F atom_electronic_structure.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:28:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_electronic_structure.F90 +/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:691:13: + + 691 | IF (need_xc) THEN + | ^ +Warning: 'need_xc' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:454:75: + + 454 | need_x, need_xc + | ^ +note: 'need_xc' was declared here +/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:664:13: + + 664 | IF (need_x) THEN + | ^ +Warning: 'need_x' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:454:66: + + 454 | need_x, need_xc + | ^ +note: 'need_x' was declared here +/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:342:13: + + 342 | IF (need_xc) THEN + | ^ +Warning: 'need_xc' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:137:75: + + 137 | need_x, need_xc, need_zmp + | ^ +note: 'need_xc' was declared here +/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:322:13: + + 322 | IF (need_x) THEN + | ^ +Warning: 'need_x' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F:137:66: + + 137 | need_x, need_xc, need_zmp + | ^ +note: 'need_x' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_electronic_structure.mod' due to: atom_electronic_structure.o /build/reproducible-path/cp2k-8.1/src/atom_electronic_structure.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_optimization.mod atom_xc.mod kinds.mod atom_output.mod base_hooks.mod input_constants.mod atom_utils.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dkh_main.o' due to: /build/reproducible-path/cp2k-8.1/src/dkh_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_environment_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod cp_blacs_env.mod physcon.mod cp_fm_cholesky.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dkh_main.F dkh_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:28:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dkh_main.F90 +/build/reproducible-path/cp2k-8.1/src/dkh_main.F:101:37: + + 101 | SUBROUTINE DKH_full_transformation(qs_env, matrix_s, matrix_v, matrix_t, matrix_pVp, n, dkh_order) + | ^ +Warning: 'dkh_full_transformation' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/dkh_main.F:746:20: + + 746 | SUBROUTINE even4a(n, ev4, e1, pe1p, vv, gg) + | ^ +Warning: 'even4a' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dkh_main.mod' due to: dkh_main.o /build/reproducible-path/cp2k-8.1/src/dkh_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_environment_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod cp_blacs_env.mod physcon.mod cp_fm_cholesky.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_operators.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_operators.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atom_types.mod mathconstants.mod periodic_table.mod qs_grid_atom.mod kinds.mod base_hooks.mod input_constants.mod lapack.mod ai_onecenter.mod mathlib.mod atom_utils.mod dkh_main.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_operators.F atom_operators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:28:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_operators.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_operators.mod' due to: atom_operators.o /build/reproducible-path/cp2k-8.1/src/atom_operators.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atom_types.mod mathconstants.mod periodic_table.mod qs_grid_atom.mod kinds.mod base_hooks.mod input_constants.mod lapack.mod ai_onecenter.mod mathlib.mod atom_utils.mod dkh_main.mod physcon.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_fit.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_fit.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod mathconstants.mod periodic_table.mod cp_files.mod powell.mod atom_electronic_structure.mod kinds.mod atom_output.mod base_hooks.mod input_constants.mod lapack.mod atom_operators.mod atom_utils.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_fit.F atom_fit.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_fit.F90 +/build/reproducible-path/cp2k-8.1/src/atom_fit.F:1855:21: + + 1855 | END FUNCTION rcpro + | ^ +Warning: 'yval' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/atom_fit.F:1838:40: + + 1838 | FUNCTION rcpro(id, xval) RESULT(yval) + | ^ +note: 'yval' was declared here +/build/reproducible-path/cp2k-8.1/src/atom_fit.F:182:64: + + 182 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob + | ^ +Warning: 'xtob.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_fit.mod' due to: atom_fit.o /build/reproducible-path/cp2k-8.1/src/atom_fit.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod mathconstants.mod periodic_table.mod cp_files.mod powell.mod atom_electronic_structure.mod kinds.mod atom_output.mod base_hooks.mod input_constants.mod lapack.mod atom_operators.mod atom_utils.mod physcon.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_kind_orbitals.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_kind_orbitals.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod rel_control_types.mod qs_kind_types.mod basis_set_types.mod atom_types.mod ai_onecenter.mod atom_utils.mod qs_grid_atom.mod atom_fit.mod mathconstants.mod periodic_table.mod atom_electronic_structure.mod kinds.mod base_hooks.mod physcon.mod input_constants.mod atom_operators.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_kind_orbitals.F atom_kind_orbitals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_kind_orbitals.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_kind_orbitals.mod' due to: atom_kind_orbitals.o /build/reproducible-path/cp2k-8.1/src/atom_kind_orbitals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod rel_control_types.mod qs_kind_types.mod basis_set_types.mod atom_types.mod ai_onecenter.mod atom_utils.mod qs_grid_atom.mod atom_fit.mod mathconstants.mod periodic_table.mod atom_electronic_structure.mod kinds.mod base_hooks.mod physcon.mod input_constants.mod atom_operators.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'hirshfeld_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/hirshfeld_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod hirshfeld_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod ao_util.mod grid_api.mod message_passing.mod cp_units.mod pw_methods.mod atom_kind_orbitals.mod mathconstants.mod cube_utils.mod periodic_table.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/hirshfeld_methods.F hirshfeld_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hirshfeld_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'hirshfeld_methods.mod' due to: hirshfeld_methods.o /build/reproducible-path/cp2k-8.1/src/hirshfeld_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod hirshfeld_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod ao_util.mod grid_api.mod message_passing.mod cp_units.mod pw_methods.mod atom_kind_orbitals.mod mathconstants.mod cube_utils.mod periodic_table.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_cdft_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_cdft_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_cdft_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod hirshfeld_types.mod cp_control_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod outer_scf_control_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod ao_util.mod bibliography.mod cp_output_handling.mod hirshfeld_methods.mod base_hooks.mod grid_api.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_units.mod cp_realspace_grid_cube.mod qs_scf_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_cdft_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_cdft_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod hirshfeld_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod outer_scf_control_types.mod qs_subsys_types.mod cp_control_types.mod qs_cdft_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod qs_scf_output.mod cp_log_handling.mod ao_util.mod grid_api.mod cp_units.mod cp_realspace_grid_cube.mod bibliography.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod hirshfeld_methods.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_cdft_utils.F qs_cdft_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_cdft_utils.F90 /build/reproducible-path/cp2k-8.1/src/qs_cdft_utils.F:925:54: 925 | nzeroed_inner = nzeroed_inner + 1 @@ -43666,11 +43253,11 @@ 541 | INTEGER, DIMENSION(:), POINTER :: atomlist, dummylist, tmplist | ^ Warning: 'dummylist.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_cdft_utils.mod' due to: qs_cdft_utils.o /build/reproducible-path/cp2k-8.1/src/qs_cdft_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_cdft_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod hirshfeld_types.mod cp_control_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod outer_scf_control_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod ao_util.mod bibliography.mod cp_output_handling.mod hirshfeld_methods.mod base_hooks.mod grid_api.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_units.mod cp_realspace_grid_cube.mod qs_scf_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_cdft_utils.mod' due to: qs_cdft_utils.o /build/reproducible-path/cp2k-8.1/src/qs_cdft_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod hirshfeld_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod outer_scf_control_types.mod qs_subsys_types.mod cp_control_types.mod qs_cdft_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod qs_scf_output.mod cp_log_handling.mod ao_util.mod grid_api.mod cp_units.mod cp_realspace_grid_cube.mod bibliography.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod hirshfeld_methods.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_cdft_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_cdft_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_cdft_types.mod qs_energy_types.mod qs_force_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod hirshfeld_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_rho0_types.mod cell_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod ao_util.mod message_passing.mod qs_cdft_utils.mod cp_output_handling.mod base_hooks.mod grid_api.mod pw_methods.mod cp_log_handling.mod input_constants.mod cube_utils.mod kahan_sum.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_cdft_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_cdft_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod hirshfeld_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_cdft_types.mod qs_rho0_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod ao_util.mod grid_api.mod message_passing.mod qs_cdft_utils.mod cp_realspace_grid_cube.mod kahan_sum.mod pw_methods.mod cp_output_handling.mod cube_utils.mod kinds.mod base_hooks.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_cdft_methods.F qs_cdft_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_cdft_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_cdft_methods.F90 /build/reproducible-path/cp2k-8.1/src/qs_cdft_methods.F:916:122: 916 | gapw_offset(igroup, i) = gapw_offset(igroup, i) + sign*group(igroup)%coeff(iatom)*mp_rho(jatom)%q0(i) @@ -43724,86 +43311,254 @@ 724 | rho_r(ispin)%pw%cr3d(k, j, i)*dvol | ^ Warning: 'sign' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_cdft_methods.mod' due to: qs_cdft_methods.o /build/reproducible-path/cp2k-8.1/src/qs_cdft_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_cdft_types.mod qs_energy_types.mod qs_force_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod hirshfeld_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_rho0_types.mod cell_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod ao_util.mod message_passing.mod qs_cdft_utils.mod cp_output_handling.mod base_hooks.mod grid_api.mod pw_methods.mod cp_log_handling.mod input_constants.mod cube_utils.mod kahan_sum.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_cdft_methods.mod' due to: qs_cdft_methods.o /build/reproducible-path/cp2k-8.1/src/qs_cdft_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod hirshfeld_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_cdft_types.mod qs_rho0_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod ao_util.mod grid_api.mod message_passing.mod qs_cdft_utils.mod cp_realspace_grid_cube.mod kahan_sum.mod pw_methods.mod cp_output_handling.mod cube_utils.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 's_square_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/s_square_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod cp_gemm_interface.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 's_square_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/s_square_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod cp_para_types.mod qs_mo_types.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod message_passing.mod cp_blacs_env.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/s_square_methods.F s_square_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' s_square_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 's_square_methods.mod' due to: s_square_methods.o /build/reproducible-path/cp2k-8.1/src/s_square_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod cp_gemm_interface.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' s_square_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 's_square_methods.mod' due to: s_square_methods.o /build/reproducible-path/cp2k-8.1/src/s_square_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod cp_para_types.mod qs_mo_types.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod message_passing.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_apply_restraints.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_apply_restraints.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_cdft_types.mod qs_rho_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod cp_dbcsr_operations.mod mulliken.mod base_hooks.mod qs_cdft_methods.mod pw_methods.mod s_square_methods.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_apply_restraints.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_apply_restraints.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod pw_types.mod cp_para_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_cdft_types.mod qs_environment_types.mod qs_cdft_methods.mod pw_methods.mod s_square_methods.mod mulliken.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ks_apply_restraints.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_apply_restraints.mod' due to: qs_ks_apply_restraints.o /build/reproducible-path/cp2k-8.1/src/qs_ks_apply_restraints.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_cdft_types.mod qs_rho_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod cp_dbcsr_operations.mod mulliken.mod base_hooks.mod qs_cdft_methods.mod pw_methods.mod s_square_methods.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_apply_restraints.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_apply_restraints.mod' due to: qs_ks_apply_restraints.o /build/reproducible-path/cp2k-8.1/src/qs_ks_apply_restraints.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod pw_types.mod cp_para_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_cdft_types.mod qs_environment_types.mod qs_cdft_methods.mod pw_methods.mod s_square_methods.mod mulliken.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kg_correction.o' due to: /build/reproducible-path/cp2k-8.1/src/kg_correction.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod input_section_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod kg_environment_types.mod lri_ks_methods.mod kinds.mod lri_forces.mod message_passing.mod lri_environment_methods.mod qs_rho_methods.mod xc_derivatives.mod qs_integrate_potential.mod base_hooks.mod xc.mod pw_methods.mod input_constants.mod qs_vxc.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kg_correction.F kg_correction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kg_correction.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kg_correction.mod' due to: kg_correction.o /build/reproducible-path/cp2k-8.1/src/kg_correction.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod input_section_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod kg_environment_types.mod lri_ks_methods.mod kinds.mod lri_forces.mod message_passing.mod lri_environment_methods.mod qs_rho_methods.mod xc_derivatives.mod qs_integrate_potential.mod base_hooks.mod xc.mod pw_methods.mod input_constants.mod qs_vxc.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'efield_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/efield_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cell_types.mod qs_environment_types.mod qs_energy_types.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod kahan_sum.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/efield_utils.F efield_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' efield_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'efield_utils.mod' due to: efield_utils.o /build/reproducible-path/cp2k-8.1/src/efield_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cell_types.mod qs_environment_types.mod qs_energy_types.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod kahan_sum.mod message_passing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'admm_dm_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/admm_dm_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod admm_dm_types.mod cp_control_types.mod qs_rho_types.mod task_list_types.mod qs_ks_types.mod cp_dbcsr_operations.mod cp_log_handling.mod iterate_matrix.mod kinds.mod qs_collocate_density.mod input_constants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/admm_dm_methods.F admm_dm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' admm_dm_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'admm_dm_methods.mod' due to: admm_dm_methods.o /build/reproducible-path/cp2k-8.1/src/admm_dm_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod admm_dm_types.mod cp_control_types.mod qs_rho_types.mod task_list_types.mod qs_ks_types.mod cp_dbcsr_operations.mod cp_log_handling.mod iterate_matrix.mod kinds.mod qs_collocate_density.mod input_constants.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_sccs.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_sccs.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod qs_scf_types.mod pw_pool_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod cp_subsys_types.mod qs_environment_types.mod rs_methods.mod cp_log_handling.mod message_passing.mod pw_poisson_methods.mod cp_units.mod cp_realspace_grid_cube.mod kahan_sum.mod pw_methods.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod cp_realspace_grid_init.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_sccs.F qs_sccs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_sccs.F90 +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:355:38: + + 355 | filename = mpi_filename + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:440:41: + + 440 | filename = mpi_filename + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:723:38: + + 723 | filename = mpi_filename + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:787:38: + + 787 | filename = mpi_filename + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:823:38: + + 823 | filename = mpi_filename + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:1228:81: + + 1228 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) + | ^ +Warning: 'q' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:1206:73: + + 1206 | ln_rho_min, q, rho, t, x, y + | ^ +note: 'q' was declared here +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:1228:81: + + 1228 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) + | ^ +Warning: 'ln_rho_max' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:1205:92: + + 1205 | REAL(KIND=dp) :: diff, e, eps_elec, f, ln_rho_max, & + | ^ +note: 'ln_rho_max' was declared here +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:972:63: + + 972 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) + | ^ +Warning: 'q' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:951:61: + + 951 | q, rho, t, x, y + | ^ +note: 'q' was declared here +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:972:63: + + 972 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) + | ^ +Warning: 'ln_rho_max' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:950:87: + + 950 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & + | ^ +note: 'ln_rho_max' was declared here +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:972:63: + + 972 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) + | ^ +Warning: 'dq' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_sccs.F:950:68: + + 950 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & + | ^ +note: 'dq' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_sccs.mod' due to: qs_sccs.o /build/reproducible-path/cp2k-8.1/src/qs_sccs.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod qs_scf_types.mod pw_pool_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod cp_subsys_types.mod qs_environment_types.mod rs_methods.mod cp_log_handling.mod message_passing.mod pw_poisson_methods.mod cp_units.mod cp_realspace_grid_cube.mod kahan_sum.mod pw_methods.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod cp_realspace_grid_init.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dft_plus_u.o' due to: /build/reproducible-path/cp2k-8.1/src/dft_plus_u.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cp_fm_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod bibliography.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod physcon.mod particle_methods.mod cp_log_handling.mod input_constants.mod cp_gemm_interface.mod orbital_symbols.mod cp_dbcsr_output.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dft_plus_u.o' due to: /build/reproducible-path/cp2k-8.1/src/dft_plus_u.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_scf_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod cp_dbcsr_output.mod mathlib.mod bibliography.mod cp_blacs_env.mod particle_methods.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod orbital_symbols.mod base_hooks.mod physcon.mod cp_dbcsr_operations.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dft_plus_u.F dft_plus_u.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dft_plus_u.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dft_plus_u.mod' due to: dft_plus_u.o /build/reproducible-path/cp2k-8.1/src/dft_plus_u.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cp_fm_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod bibliography.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod physcon.mod particle_methods.mod cp_log_handling.mod input_constants.mod cp_gemm_interface.mod orbital_symbols.mod cp_dbcsr_output.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dft_plus_u.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dft_plus_u.mod' due to: dft_plus_u.o /build/reproducible-path/cp2k-8.1/src/dft_plus_u.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_scf_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod cp_dbcsr_output.mod mathlib.mod bibliography.mod cp_blacs_env.mod particle_methods.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod orbital_symbols.mod base_hooks.mod physcon.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'admm_dm_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/admm_dm_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 task_list_types.mod pw_types.mod cp_control_types.mod qs_ks_types.mod admm_dm_types.mod qs_rho_types.mod kinds.mod qs_collocate_density.mod iterate_matrix.mod cp_log_handling.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/admm_dm_methods.F admm_dm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' admm_dm_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'admm_dm_methods.mod' due to: admm_dm_methods.o /build/reproducible-path/cp2k-8.1/src/admm_dm_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 task_list_types.mod pw_types.mod cp_control_types.mod qs_ks_types.mod admm_dm_types.mod qs_rho_types.mod kinds.mod qs_collocate_density.mod iterate_matrix.mod cp_log_handling.mod cp_dbcsr_operations.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod cp_fm_types.mod qs_mo_types.mod hartree_local_types.mod pw_pool_types.mod admm_types.mod pw_env_types.mod qs_charges_types.mod pw_types.mod cp_para_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod lri_environment_types.mod qs_cdft_types.mod qs_local_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod admm_methods.mod kg_correction.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_core_energies.mod qs_efield_berry.mod se_fock_matrix.mod qs_dftb_matrices.mod hartree_local_methods.mod xtb_matrices.mod message_passing.mod rtp_admm_methods.mod pw_poisson_methods.mod hfx_admm_utils.mod qs_ks_atom.mod cp_ddapc.mod cp_dbcsr_cp2k_link.mod mathlib.mod pw_methods.mod qs_gapw_densities.mod qs_ks_utils.mod cp_blacs_env.mod cp_output_handling.mod qs_efield_local.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_vxc.mod base_hooks.mod surface_dipole.mod qmmm_image_charge.mod qs_integrate_potential.mod qs_ks_apply_restraints.mod qs_vxc_atom.mod cp_dbcsr_operations.mod qs_ks_qmmm_methods.mod input_constants.mod lri_environment_methods.mod efield_utils.mod admm_dm_methods.mod qs_rho0_ggrid.mod qs_sccs.mod dft_plus_u.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_methods.F qs_ks_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_methods.mod' due to: qs_ks_methods.o /build/reproducible-path/cp2k-8.1/src/qs_ks_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod cp_fm_types.mod qs_mo_types.mod hartree_local_types.mod pw_pool_types.mod admm_types.mod pw_env_types.mod qs_charges_types.mod pw_types.mod cp_para_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod lri_environment_types.mod qs_cdft_types.mod qs_local_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod admm_methods.mod kg_correction.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_core_energies.mod qs_efield_berry.mod se_fock_matrix.mod qs_dftb_matrices.mod hartree_local_methods.mod xtb_matrices.mod message_passing.mod rtp_admm_methods.mod pw_poisson_methods.mod hfx_admm_utils.mod qs_ks_atom.mod cp_ddapc.mod cp_dbcsr_cp2k_link.mod mathlib.mod pw_methods.mod qs_gapw_densities.mod qs_ks_utils.mod cp_blacs_env.mod cp_output_handling.mod qs_efield_local.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_vxc.mod base_hooks.mod surface_dipole.mod qmmm_image_charge.mod qs_integrate_potential.mod qs_ks_apply_restraints.mod qs_vxc_atom.mod cp_dbcsr_operations.mod qs_ks_qmmm_methods.mod input_constants.mod lri_environment_methods.mod efield_utils.mod admm_dm_methods.mod qs_rho0_ggrid.mod qs_sccs.mod dft_plus_u.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rtp_admm_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/rtp_admm_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod admm_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod task_list_types.mod cp_para_types.mod pw_types.mod kinds.mod cp_dbcsr_operations.mod hfx_admm_utils.mod cp_fm_basic_linalg.mod base_hooks.mod mathconstants.mod input_constants.mod cp_gemm_interface.mod cp_fm_cholesky.mod qs_collocate_density.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rtp_admm_methods.F rtp_admm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rtp_admm_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rtp_admm_methods.mod' due to: rtp_admm_methods.o /build/reproducible-path/cp2k-8.1/src/rtp_admm_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod admm_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod task_list_types.mod cp_para_types.mod pw_types.mod kinds.mod cp_dbcsr_operations.mod hfx_admm_utils.mod cp_fm_basic_linalg.mod base_hooks.mod mathconstants.mod input_constants.mod cp_gemm_interface.mod cp_fm_cholesky.mod qs_collocate_density.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy_matrix_w.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy_matrix_w.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod kpoint_types.mod qs_mo_types.mod qs_rho_types.mod scf_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_struct.mod kinds.mod kpoint_methods.mod base_hooks.mod qs_ks_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy_matrix_w.F qs_energy_matrix_w.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy_matrix_w.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy_matrix_w.mod' due to: qs_energy_matrix_w.o /build/reproducible-path/cp2k-8.1/src/qs_energy_matrix_w.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod kpoint_types.mod qs_mo_types.mod qs_rho_types.mod scf_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_struct.mod kinds.mod kpoint_methods.mod base_hooks.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_coulomb.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_coulomb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod distribution_1d_types.mod ewald_pw_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod sap_kind_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod kpoint_types.mod virial_types.mod cp_para_types.mod qs_dftb_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod message_passing.mod qs_dftb3_methods.mod virial_methods.mod qs_dftb_utils.mod base_hooks.mod mathconstants.mod ewald_methods_tb.mod qmmm_tb_coulomb.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dftb_coulomb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_coulomb.mod' due to: qs_dftb_coulomb.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_coulomb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod distribution_1d_types.mod ewald_pw_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod sap_kind_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod kpoint_types.mod virial_types.mod cp_para_types.mod qs_dftb_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod message_passing.mod qs_dftb3_methods.mod virial_methods.mod qs_dftb_utils.mod base_hooks.mod mathconstants.mod ewald_methods_tb.mod qmmm_tb_coulomb.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_density_mixing_types.mod cp_para_types.mod qs_mo_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod input_constants.mod message_passing.mod cp_fm_cholesky.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_methods.F qs_scf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:29:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_methods.mod' due to: qs_scf_methods.o /build/reproducible-path/cp2k-8.1/src/qs_scf_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_density_mixing_types.mod cp_para_types.mod qs_mo_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod input_constants.mod message_passing.mod cp_fm_cholesky.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_matrices.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_matrices.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod block_p_types.mod kpoint_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod qs_dftb_types.mod atprop_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod mulliken.mod cp_output_handling.mod virial_methods.mod qs_dftb_coulomb.mod qs_dftb_utils.mod base_hooks.mod particle_methods.mod cp_log_handling.mod efield_tb_methods.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_matrices.F qs_dftb_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dftb_matrices.F90 -/build/reproducible-path/cp2k-8.1/src/qs_dftb_matrices.F:419:19: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mixing_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod distribution_1d_types.mod qs_scf_methods.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_dbcsr_cp2k_link.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F qs_mixing_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mixing_utils.F90 +/build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F:125:80: - 419 | IF (use_virial) THEN - | ^ -Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_matrices.mod' due to: qs_dftb_matrices.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_matrices.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod block_p_types.mod kpoint_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod qs_dftb_types.mod atprop_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod mulliken.mod cp_output_handling.mod virial_methods.mod qs_dftb_coulomb.mod qs_dftb_utils.mod base_hooks.mod particle_methods.mod cp_log_handling.mod efield_tb_methods.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_output.mod + 125 | max_shell, na, natom, nbuffer, nel, & + | ^ +Warning: 'natom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F:233:39: + + 233 | mixing_store%ubroy = 0.0_dp + | ^ +Warning: 'na' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F:125:69: + + 125 | max_shell, na, natom, nbuffer, nel, & + | ^ +Warning: 'max_shell' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mixing_utils.mod' due to: qs_mixing_utils.o /build/reproducible-path/cp2k-8.1/src/qs_mixing_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod distribution_1d_types.mod qs_scf_methods.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_dbcsr_cp2k_link.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ks_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ks_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod qs_energy_types.mod qs_cdft_types.mod pw_env_types.mod admm_types.mod qs_rho_types.mod hartree_local_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod pw_poisson_types.mod qs_local_rho_types.mod kinds.mod qs_core_energies.mod message_passing.mod cp_blacs_env.mod lri_environment_methods.mod cp_dbcsr_operations.mod qs_ks_utils.mod qs_rho0_ggrid.mod hfx_admm_utils.mod qs_efield_berry.mod surface_dipole.mod cp_fm_basic_linalg.mod se_fock_matrix.mod qs_sccs.mod mathlib.mod efield_utils.mod admm_methods.mod qs_integrate_potential.mod cp_output_handling.mod cp_fm_struct.mod cp_ddapc.mod qs_vxc_atom.mod base_hooks.mod qs_efield_local.mod qs_ks_atom.mod xtb_matrices.mod hartree_local_methods.mod qs_ks_apply_restraints.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod kg_correction.mod input_constants.mod dft_plus_u.mod qmmm_image_charge.mod cp_gemm_interface.mod cp_dbcsr_cp2k_link.mod qs_vxc.mod qs_ks_qmmm_methods.mod admm_dm_methods.mod rtp_admm_methods.mod qs_gapw_densities.mod qs_dftb_matrices.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ks_methods.F qs_ks_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:19:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ks_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ks_methods.mod' due to: qs_ks_methods.o /build/reproducible-path/cp2k-8.1/src/qs_ks_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod qs_energy_types.mod qs_cdft_types.mod pw_env_types.mod admm_types.mod qs_rho_types.mod hartree_local_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod pw_poisson_types.mod qs_local_rho_types.mod kinds.mod qs_core_energies.mod message_passing.mod cp_blacs_env.mod lri_environment_methods.mod cp_dbcsr_operations.mod qs_ks_utils.mod qs_rho0_ggrid.mod hfx_admm_utils.mod qs_efield_berry.mod surface_dipole.mod cp_fm_basic_linalg.mod se_fock_matrix.mod qs_sccs.mod mathlib.mod efield_utils.mod admm_methods.mod qs_integrate_potential.mod cp_output_handling.mod cp_fm_struct.mod cp_ddapc.mod qs_vxc_atom.mod base_hooks.mod qs_efield_local.mod qs_ks_atom.mod xtb_matrices.mod hartree_local_methods.mod qs_ks_apply_restraints.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod kg_correction.mod input_constants.mod dft_plus_u.mod qmmm_image_charge.mod cp_gemm_interface.mod cp_dbcsr_cp2k_link.mod qs_vxc.mod qs_ks_qmmm_methods.mod admm_dm_methods.mod rtp_admm_methods.mod qs_gapw_densities.mod qs_dftb_matrices.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'core_ppnl.o' due to: /build/reproducible-path/cp2k-8.1/src/core_ppnl.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_force_types.mod external_potential_types.mod qs_kind_types.mod virial_types.mod particle_types.mod sap_kind_types.mod qs_neighbor_list_types.mod kinds.mod virial_methods.mod base_hooks.mod ai_overlap.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/core_ppnl.F core_ppnl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' core_ppnl.F90 +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:519:95: + + 519 | !$ iatom8 = INT(iatom - 1, int_8)*INT(natom, int_8) + INT(jatom, int_8) + | ^ +Warning: 'natom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:106:89: + + 106 | ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, maxsgf, na, natom, nb, & + | ^ +note: 'natom' was declared here +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:76: + + 131 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a + | ^ +Warning: 'alpha_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:76: Warning: 'alpha_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:76: Warning: 'alpha_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:76: Warning: 'alpha_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:110:92: + + 110 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, & + | ^ +Warning: 'nprj_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:110:92: Warning: 'nprj_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:110:92: Warning: 'nprj_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:110:92: Warning: 'nprj_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:130:77: + + 130 | sphi_a, vprj_ppnl, zeta + | ^ +Warning: 'vprj_ppnl.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:130:77: Warning: 'vprj_ppnl.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:130:77: Warning: 'vprj_ppnl.span' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:130:77: Warning: 'vprj_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:130:77: Warning: 'vprj_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:82: + + 131 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a + | ^ +Warning: 'hprj.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:82: Warning: 'hprj.span' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:82: Warning: 'hprj.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:131:82: Warning: 'hprj.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:401:47: + + 401 | work(1:np, 1:nb) = MATMUL(sab(1:np, first_col:first_col + nprjc - 1), cprj(1:nprjc, 1:nb)) + | ^ +Warning: 'nprjc' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/core_ppnl.F:107:67: + + 107 | ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, nsgfa, prjc, sgfa, slot + | ^ +note: 'nprjc' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'core_ppnl.mod' due to: core_ppnl.o /build/reproducible-path/cp2k-8.1/src/core_ppnl.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_force_types.mod external_potential_types.mod qs_kind_types.mod virial_types.mod particle_types.mod sap_kind_types.mod qs_neighbor_list_types.mod kinds.mod virial_methods.mod base_hooks.mod ai_overlap.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_update_s_mstruct.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_update_s_mstruct.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod qs_neighbor_list_types.mod task_list_types.mod qs_ks_types.mod pw_types.mod cp_control_types.mod cp_ddapc_types.mod qs_environment_types.mod qs_rho_types.mod cp_ddapc_util.mod task_list_methods.mod qs_rho_methods.mod pw_methods.mod base_hooks.mod input_constants.mod qs_collocate_density.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_update_s_mstruct.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_update_s_mstruct.mod' due to: qs_update_s_mstruct.o /build/reproducible-path/cp2k-8.1/src/qs_update_s_mstruct.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod qs_neighbor_list_types.mod task_list_types.mod qs_ks_types.mod pw_types.mod cp_control_types.mod cp_ddapc_types.mod qs_environment_types.mod qs_rho_types.mod cp_ddapc_util.mod task_list_methods.mod qs_rho_methods.mod pw_methods.mod base_hooks.mod input_constants.mod qs_collocate_density.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_verfc.mod' due to: ai_verfc.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kpoint_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/kpoint_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_pool_types.mod particle_types.mod cp_control_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod util.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_matrix_pools.mod fermi_utils.mod cp_para_env.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_gemm_interface.mod cp_dbcsr_cp2k_link.mod cryssym.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kpoint_methods.F kpoint_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kpoint_methods.F90 -/build/reproducible-path/cp2k-8.1/src/kpoint_methods.F:342:26: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'core_ae.o' due to: /build/reproducible-path/cp2k-8.1/src/core_ae.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_force_types.mod external_potential_types.mod qs_kind_types.mod virial_types.mod particle_types.mod qs_neighbor_list_types.mod ai_verfc.mod kinds.mod virial_methods.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/core_ae.F core_ae.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' core_ae.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'core_ae.mod' due to: core_ae.o /build/reproducible-path/cp2k-8.1/src/core_ae.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_force_types.mod external_potential_types.mod qs_kind_types.mod virial_types.mod particle_types.mod qs_neighbor_list_types.mod ai_verfc.mod kinds.mod virial_methods.mod base_hooks.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kg_tnadd_mat.o' due to: /build/reproducible-path/cp2k-8.1/src/kg_tnadd_mat.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_force_types.mod external_potential_types.mod kg_environment_types.mod qs_kind_types.mod particle_types.mod virial_types.mod qs_neighbor_list_types.mod ai_overlap_ppl.mod cp_dbcsr_operations.mod kinds.mod virial_methods.mod base_hooks.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod particle_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kg_tnadd_mat.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kg_tnadd_mat.mod' due to: kg_tnadd_mat.o /build/reproducible-path/cp2k-8.1/src/kg_tnadd_mat.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_force_types.mod external_potential_types.mod kg_environment_types.mod qs_kind_types.mod particle_types.mod virial_types.mod qs_neighbor_list_types.mod ai_overlap_ppl.mod cp_dbcsr_operations.mod kinds.mod virial_methods.mod base_hooks.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod particle_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_kinetic.mod' due to: ai_kinetic.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_kinetic.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_kinetic.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod qs_neighbor_list_types.mod ai_contraction.mod ai_kinetic.mod virial_methods.mod orbital_pointers.mod qs_overlap.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_kinetic.F qs_kinetic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_kinetic.F90 +/build/reproducible-path/cp2k-8.1/src/qs_kinetic.F:264:46: - 342 | nkp_grp = npe/ngr - | ^ -Warning: 'ngr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kpoint_methods.mod' due to: kpoint_methods.o /build/reproducible-path/cp2k-8.1/src/kpoint_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_pool_types.mod particle_types.mod cp_control_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod util.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_matrix_pools.mod fermi_utils.mod cp_para_env.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_gemm_interface.mod cp_dbcsr_cp2k_link.mod cryssym.mod + 264 | !$OMP REDUCTION (+ : pv_thread, force_thread ) + | ^ +Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_kinetic.F:264:46: Warning: 'use_cell_mapping' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_kinetic.F:455:10: + + 455 | IF (dokp) THEN + | ^ +Warning: 'dokp' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_kinetic.mod' due to: qs_kinetic.o /build/reproducible-path/cp2k-8.1/src/qs_kinetic.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod qs_neighbor_list_types.mod ai_contraction.mod ai_kinetic.mod virial_methods.mod orbital_pointers.mod qs_overlap.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_integral_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy_matrix_w.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy_matrix_w.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod cp_control_types.mod kpoint_types.mod scf_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_rho_types.mod kinds.mod cp_fm_struct.mod base_hooks.mod qs_ks_methods.mod kpoint_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy_matrix_w.F qs_energy_matrix_w.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_energy_matrix_w.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy_matrix_w.mod' due to: qs_energy_matrix_w.o /build/reproducible-path/cp2k-8.1/src/qs_energy_matrix_w.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod cp_control_types.mod kpoint_types.mod scf_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_rho_types.mod kinds.mod cp_fm_struct.mod base_hooks.mod qs_ks_methods.mod kpoint_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_core_hamiltonian.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_core_hamiltonian.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod kg_environment_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod qs_oce_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_oce_methods.mod cp_log_handling.mod core_ppnl.mod cp_dbcsr_output.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod cp_output_handling.mod core_ae.mod qs_condnum.mod kg_tnadd_mat.mod qs_overlap.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_kinetic.mod input_constants.mod core_ppl.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_core_hamiltonian.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_core_hamiltonian.mod' due to: qs_core_hamiltonian.o /build/reproducible-path/cp2k-8.1/src/qs_core_hamiltonian.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod kg_environment_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod qs_oce_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_oce_methods.mod cp_log_handling.mod core_ppnl.mod cp_dbcsr_output.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod cp_output_handling.mod core_ae.mod qs_condnum.mod kg_tnadd_mat.mod qs_overlap.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_kinetic.mod input_constants.mod core_ppl.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_update_s_mstruct.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_update_s_mstruct.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_ddapc_types.mod pw_types.mod cp_control_types.mod qs_rho_types.mod task_list_types.mod qs_neighbor_list_types.mod qs_ks_types.mod qs_environment_types.mod qs_rho_methods.mod qs_collocate_density.mod base_hooks.mod input_constants.mod task_list_methods.mod cp_ddapc_util.mod pw_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_update_s_mstruct.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_update_s_mstruct.mod' due to: qs_update_s_mstruct.o /build/reproducible-path/cp2k-8.1/src/qs_update_s_mstruct.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_ddapc_types.mod pw_types.mod cp_control_types.mod qs_rho_types.mod task_list_types.mod qs_neighbor_list_types.mod qs_ks_types.mod qs_environment_types.mod qs_rho_methods.mod qs_collocate_density.mod base_hooks.mod input_constants.mod task_list_methods.mod cp_ddapc_util.mod pw_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_basis_gradient.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_basis_gradient.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_subsys_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod cp_dbcsr_operations.mod qs_mixing_utils.mod qs_core_hamiltonian.mod qs_rho_methods.mod qs_neighbor_lists.mod qs_mo_methods.mod base_hooks.mod cp_log_handling.mod qs_ks_methods.mod qs_update_s_mstruct.mod qs_energy_matrix_w.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_basis_gradient.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_basis_gradient.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod qs_energy_matrix_w.mod qs_mixing_utils.mod qs_neighbor_lists.mod qs_rho_methods.mod qs_core_hamiltonian.mod kinds.mod base_hooks.mod qs_ks_methods.mod qs_mo_methods.mod cp_dbcsr_operations.mod qs_update_s_mstruct.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_basis_gradient.F qs_basis_gradient.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_basis_gradient.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_basis_gradient.mod' due to: qs_basis_gradient.o /build/reproducible-path/cp2k-8.1/src/qs_basis_gradient.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_subsys_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod cp_dbcsr_operations.mod qs_mixing_utils.mod qs_core_hamiltonian.mod qs_rho_methods.mod qs_neighbor_lists.mod qs_mo_methods.mod base_hooks.mod cp_log_handling.mod qs_ks_methods.mod qs_update_s_mstruct.mod qs_energy_matrix_w.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_basis_gradient.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_basis_gradient.mod' due to: qs_basis_gradient.o /build/reproducible-path/cp2k-8.1/src/qs_basis_gradient.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod qs_energy_matrix_w.mod qs_mixing_utils.mod qs_neighbor_lists.mod qs_rho_methods.mod qs_core_hamiltonian.mod kinds.mod base_hooks.mod qs_ks_methods.mod qs_mo_methods.mod cp_dbcsr_operations.mod qs_update_s_mstruct.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_outer_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_outer_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod qs_energy_types.mod qs_cdft_types.mod cp_control_types.mod qs_environment_types.mod scf_control_types.mod qs_cdft_opt_types.mod kinds.mod qs_basis_gradient.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_outer_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_outer_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod qs_cdft_opt_types.mod cp_control_types.mod scf_control_types.mod qs_cdft_types.mod qs_environment_types.mod qs_energy_types.mod kinds.mod qs_basis_gradient.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_outer_scf.F qs_outer_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_outer_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_outer_scf.F90 /build/reproducible-path/cp2k-8.1/src/qs_outer_scf.F:511:60: 511 | ddapc_restraint_control%strength = extrapolation(1) @@ -43824,76 +43579,21 @@ 145 | ddapc_restraint_control%target | ^ Warning: 'ddapc_restraint_control' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_outer_scf.mod' due to: qs_outer_scf.o /build/reproducible-path/cp2k-8.1/src/qs_outer_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod qs_energy_types.mod qs_cdft_types.mod cp_control_types.mod qs_environment_types.mod scf_control_types.mod qs_cdft_opt_types.mod kinds.mod qs_basis_gradient.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pw_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pw_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_env_types.mod qs_kind_types.mod qs_dispersion_types.mod ps_implicit_types.mod dielectric_types.mod cp_control_types.mod qs_environment_types.mod ps_wavelet_types.mod input_section_types.mod qs_rho0_types.mod cell_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod ao_util.mod dct.mod xc_input_constants.mod gaussian_gridlevels.mod cp_output_handling.mod base_hooks.mod pw_poisson_methods.mod pw_grid_info.mod cp_log_handling.mod pw_poisson_read_input.mod input_constants.mod d3_poly.mod cube_utils.mod pw_grids.mod cp_realspace_grid_init.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pw_env_methods.F pw_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pw_env_methods.F90 -/build/reproducible-path/cp2k-8.1/src/pw_env_methods.F:1028:45: - - 1028 | 1, (/-1, -1, -1/)) - | ^ -Warning: 'border_points' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/pw_env_methods.F:797:16: - - 797 | IF (igrid_zet0_s == igrid_level) maxradius = MAX(maxradius, max_rpgf0_s) - | ^ -Warning: 'igrid_zet0_s' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/pw_env_methods.F:751:67: - - 751 | INTEGER :: handle, ibasis_set_type, igrid_level, igrid_zet0_s, ikind, ipgf, iset, ishell, & - | ^ -note: 'igrid_zet0_s' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pw_env_methods.mod' due to: pw_env_methods.o /build/reproducible-path/cp2k-8.1/src/pw_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_env_types.mod qs_kind_types.mod qs_dispersion_types.mod ps_implicit_types.mod dielectric_types.mod cp_control_types.mod qs_environment_types.mod ps_wavelet_types.mod input_section_types.mod qs_rho0_types.mod cell_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod ao_util.mod dct.mod xc_input_constants.mod gaussian_gridlevels.mod cp_output_handling.mod base_hooks.mod pw_poisson_methods.mod pw_grid_info.mod cp_log_handling.mod pw_poisson_read_input.mod input_constants.mod d3_poly.mod cube_utils.mod pw_grids.mod cp_realspace_grid_init.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_outer_scf.mod' due to: qs_outer_scf.o /build/reproducible-path/cp2k-8.1/src/qs_outer_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod qs_cdft_opt_types.mod cp_control_types.mod scf_control_types.mod qs_cdft_types.mod qs_environment_types.mod qs_energy_types.mod kinds.mod qs_basis_gradient.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_environment_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_environment_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod ewald_pw_types.mod pw_env_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho0_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod molecule_types.mod scf_control_types.mod distribution_2d_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod cp_blacs_env.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod ewald_pw_methods.mod qs_outer_scf.mod distribution_methods.mod base_hooks.mod qs_matrix_pools.mod input_constants.mod pw_env_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_environment_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_environment_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod atomic_kind_types.mod ewald_environment_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod molecule_kind_types.mod qs_charges_types.mod pw_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod qs_ks_types.mod cp_control_types.mod scf_control_types.mod qs_rho0_types.mod cell_types.mod qs_environment_types.mod pw_env_methods.mod ewald_pw_methods.mod distribution_methods.mod cp_blacs_env.mod kinds.mod base_hooks.mod qs_matrix_pools.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod input_constants.mod qs_outer_scf.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_environment_methods.F qs_environment_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_environment_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_environment_methods.mod' due to: qs_environment_methods.o /build/reproducible-path/cp2k-8.1/src/qs_environment_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod ewald_pw_types.mod pw_env_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho0_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod molecule_types.mod scf_control_types.mod distribution_2d_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod cp_blacs_env.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod ewald_pw_methods.mod qs_outer_scf.mod distribution_methods.mod base_hooks.mod qs_matrix_pools.mod input_constants.mod pw_env_methods.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_write_output.o' due to: /build/reproducible-path/cp2k-8.1/src/xc_write_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod xc_derivatives.mod xc_libxc.mod base_hooks.mod input_cp2k_check.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc_write_output.F xc_write_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_write_output.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_write_output.mod' due to: xc_write_output.o /build/reproducible-path/cp2k-8.1/src/xc_write_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod xc_derivatives.mod xc_libxc.mod base_hooks.mod input_cp2k_check.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_control_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_control_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod cp_control_types.mod pair_potential_types.mod input_enumeration_types.mod input_section_types.mod input_keyword_types.mod kinds.mod string_utilities.mod xc_input_constants.mod qs_cdft_utils.mod util.mod bibliography.mod cp_files.mod xc_write_output.mod xc_derivatives.mod cp_output_handling.mod base_hooks.mod mathconstants.mod input_cp2k_check.mod input_cp2k_dft.mod cp_log_handling.mod input_constants.mod force_fields_input.mod cp_units.mod periodic_table.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_control_utils.F cp_control_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_control_utils.F90 -/build/reproducible-path/cp2k-8.1/src/cp_control_utils.F:1677:51: - - 1677 | method = enum_i2c(enum, qs_control%method_id) - | 1 -Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/cp_control_utils.F:1682:69: - - 1682 | quadrature = enum_i2c(enum, qs_control%gapw_control%quadrature) - | 1 -Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/cp_control_utils.F:208:53: - - 208 | dft_control%auto_basis_aux_fit = isize - | ^ -Warning: 'isize' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_control_utils.mod' due to: cp_control_utils.o /build/reproducible-path/cp2k-8.1/src/cp_control_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod cp_control_types.mod pair_potential_types.mod input_enumeration_types.mod input_section_types.mod input_keyword_types.mod kinds.mod string_utilities.mod xc_input_constants.mod qs_cdft_utils.mod util.mod bibliography.mod cp_files.mod xc_write_output.mod xc_derivatives.mod cp_output_handling.mod base_hooks.mod mathconstants.mod input_cp2k_check.mod input_cp2k_dft.mod cp_log_handling.mod input_constants.mod force_fields_input.mod cp_units.mod periodic_table.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gcp_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gcp_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod qs_environment_types.mod qs_kind_types.mod qs_gcp_types.mod basis_set_types.mod kinds.mod cp_parser_methods.mod periodic_table.mod sto_ng.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gcp_utils.F qs_gcp_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_gcp_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gcp_utils.mod' due to: qs_gcp_utils.o /build/reproducible-path/cp2k-8.1/src/qs_gcp_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod qs_environment_types.mod qs_kind_types.mod qs_gcp_types.mod basis_set_types.mod kinds.mod cp_parser_methods.mod periodic_table.mod sto_ng.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_parameters.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_parameters.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod qs_kind_types.mod cp_control_types.mod input_section_types.mod cp_parser_types.mod cp_para_types.mod qs_dftb_types.mod kinds.mod message_passing.mod string_utilities.mod cp_files.mod cp_output_handling.mod qs_dftb_utils.mod base_hooks.mod mathconstants.mod qmmm_ff_fist.mod physcon.mod cp_log_handling.mod input_constants.mod cp_parser_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_parameters.F qs_dftb_parameters.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dftb_parameters.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_parameters.mod' due to: qs_dftb_parameters.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_parameters.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod qs_kind_types.mod cp_control_types.mod input_section_types.mod cp_parser_types.mod cp_para_types.mod qs_dftb_types.mod kinds.mod message_passing.mod string_utilities.mod cp_files.mod cp_output_handling.mod qs_dftb_utils.mod base_hooks.mod mathconstants.mod qmmm_ff_fist.mod physcon.mod cp_log_handling.mod input_constants.mod cp_parser_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_environment_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_environment_methods.mod' due to: qs_environment_methods.o /build/reproducible-path/cp2k-8.1/src/qs_environment_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod atomic_kind_types.mod ewald_environment_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod molecule_kind_types.mod qs_charges_types.mod pw_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod qs_ks_types.mod cp_control_types.mod scf_control_types.mod qs_rho0_types.mod cell_types.mod qs_environment_types.mod pw_env_methods.mod ewald_pw_methods.mod distribution_methods.mod cp_blacs_env.mod kinds.mod base_hooks.mod qs_matrix_pools.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod input_constants.mod qs_outer_scf.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_ml_gaussprocess.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_ml_gaussprocess.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_ml_gaussprocess.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_ml_gaussprocess.mod' due to: pao_ml_gaussprocess.o /build/reproducible-path/cp2k-8.1/src/pao_ml_gaussprocess.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dispersion_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dispersion_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod qs_dispersion_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod qs_dispersion_pairpot.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dispersion_utils.F qs_dispersion_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dispersion_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dispersion_utils.mod' due to: qs_dispersion_utils.o /build/reproducible-path/cp2k-8.1/src/qs_dispersion_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod qs_dispersion_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod qs_dispersion_pairpot.mod physcon.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_potentials.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_potentials.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ao_util.mod ai_overlap.mod base_hooks.mod mathconstants.mod orbital_pointers.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_potentials.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_potentials.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod mathconstants.mod kinds.mod base_hooks.mod ao_util.mod mathlib.mod orbital_pointers.mod ai_overlap.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_potentials.F pao_potentials.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_potentials.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_potentials.F90 /build/reproducible-path/cp2k-8.1/src/pao_potentials.F:119:76: 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab @@ -43911,16 +43611,11 @@ 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab | ^ Warning: 'new_block_d.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_potentials.mod' due to: pao_potentials.o /build/reproducible-path/cp2k-8.1/src/pao_potentials.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ao_util.mod ai_overlap.mod base_hooks.mod mathconstants.mod orbital_pointers.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_param_exp.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_param_exp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod pao_potentials.mod base_hooks.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_param_exp.F pao_param_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_param_exp.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_param_exp.mod' due to: pao_param_exp.o /build/reproducible-path/cp2k-8.1/src/pao_param_exp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod pao_potentials.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_potentials.mod' due to: pao_potentials.o /build/reproducible-path/cp2k-8.1/src/pao_potentials.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod mathconstants.mod kinds.mod base_hooks.mod ao_util.mod mathlib.mod orbital_pointers.mod ai_overlap.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_param_fock.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_param_fock.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_param_fock.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_param_fock.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod base_hooks.mod mathlib.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_param_fock.F pao_param_fock.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_param_fock.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_param_fock.F90 /build/reproducible-path/cp2k-8.1/src/pao_param_fock.F:155:83: 155 | D2(i, i) = D2(i, i) - 2.0_dp*alpha*diff/beta**2*EXP(-(diff/beta)**2) @@ -43929,93 +43624,49 @@ /build/reproducible-path/cp2k-8.1/src/pao_param_fock.F:155:83: Warning: 'alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_param_fock.mod' due to: pao_param_fock.o /build/reproducible-path/cp2k-8.1/src/pao_param_fock.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod base_hooks.mod mathlib.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_linpot_rotinv.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_linpot_rotinv.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_overlap.mod base_hooks.mod mathconstants.mod orbital_pointers.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_param_gth.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_param_gth.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod dm_ls_scf_types.mod particle_types.mod qs_kind_types.mod cell_types.mod qs_environment_types.mod pao_types.mod kinds.mod pao_potentials.mod iterate_matrix.mod orbital_pointers.mod base_hooks.mod pao_param_fock.mod message_passing.mod arnoldi_api.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_param_gth.F pao_param_gth.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_param_gth.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_param_gth.mod' due to: pao_param_gth.o /build/reproducible-path/cp2k-8.1/src/pao_param_gth.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod dm_ls_scf_types.mod particle_types.mod qs_kind_types.mod cell_types.mod qs_environment_types.mod pao_types.mod kinds.mod pao_potentials.mod iterate_matrix.mod orbital_pointers.mod base_hooks.mod pao_param_fock.mod message_passing.mod arnoldi_api.mod machine.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_param_exp.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_param_exp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod qs_environment_types.mod pao_types.mod kinds.mod pao_potentials.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_param_exp.F pao_param_exp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_param_exp.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_param_exp.mod' due to: pao_param_exp.o /build/reproducible-path/cp2k-8.1/src/pao_param_exp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod qs_environment_types.mod pao_types.mod kinds.mod pao_potentials.mod base_hooks.mod mathlib.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_linpot_rotinv.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_linpot_rotinv.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod orbital_pointers.mod ai_overlap.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_linpot_rotinv.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_linpot_rotinv.mod' due to: pao_linpot_rotinv.o /build/reproducible-path/cp2k-8.1/src/pao_linpot_rotinv.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_overlap.mod base_hooks.mod mathconstants.mod orbital_pointers.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_linpot_rotinv.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_linpot_rotinv.mod' due to: pao_linpot_rotinv.o /build/reproducible-path/cp2k-8.1/src/pao_linpot_rotinv.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod orbital_pointers.mod ai_overlap.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_linpot_full.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_linpot_full.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_linpot_full.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_linpot_full.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod qs_environment_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_linpot_full.F pao_linpot_full.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_linpot_full.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_linpot_full.mod' due to: pao_linpot_full.o /build/reproducible-path/cp2k-8.1/src/pao_linpot_full.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_linpot_full.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_linpot_full.mod' due to: pao_linpot_full.o /build/reproducible-path/cp2k-8.1/src/pao_linpot_full.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod qs_environment_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_param_linpot.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_param_linpot.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod pao_types.mod basis_set_types.mod kinds.mod message_passing.mod pao_potentials.mod pao_param_fock.mod base_hooks.mod machine.mod pao_linpot_rotinv.mod pao_input.mod pao_linpot_full.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_param_linpot.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_param_linpot.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod pao_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod qs_environment_types.mod pao_linpot_rotinv.mod message_passing.mod pao_potentials.mod mathlib.mod machine.mod kinds.mod base_hooks.mod pao_param_fock.mod pao_linpot_full.mod pao_input.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_param_linpot.F pao_param_linpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_param_linpot.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_param_linpot.mod' due to: pao_param_linpot.o /build/reproducible-path/cp2k-8.1/src/pao_param_linpot.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod pao_types.mod basis_set_types.mod kinds.mod message_passing.mod pao_potentials.mod pao_param_fock.mod base_hooks.mod machine.mod pao_linpot_rotinv.mod pao_input.mod pao_linpot_full.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_param_linpot.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_param_linpot.mod' due to: pao_param_linpot.o /build/reproducible-path/cp2k-8.1/src/pao_param_linpot.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod pao_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod qs_environment_types.mod pao_linpot_rotinv.mod message_passing.mod pao_potentials.mod mathlib.mod machine.mod kinds.mod base_hooks.mod pao_param_fock.mod pao_linpot_full.mod pao_input.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_param_gth.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_param_gth.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod dm_ls_scf_types.mod particle_types.mod pao_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod pao_potentials.mod iterate_matrix.mod message_passing.mod pao_param_fock.mod arnoldi_api.mod base_hooks.mod orbital_pointers.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_param_gth.F pao_param_gth.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_param_gth.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_param_gth.mod' due to: pao_param_gth.o /build/reproducible-path/cp2k-8.1/src/pao_param_gth.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod dm_ls_scf_types.mod particle_types.mod pao_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod pao_potentials.mod iterate_matrix.mod message_passing.mod pao_param_fock.mod arnoldi_api.mod base_hooks.mod orbital_pointers.mod machine.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_param.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_param.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod pao_types.mod qs_environment_types.mod kinds.mod pao_param_exp.mod message_passing.mod pao_param_linpot.mod cp_log_handling.mod base_hooks.mod pao_input.mod pao_param_gth.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_param.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_param.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod qs_environment_types.mod pao_types.mod kinds.mod pao_param_gth.mod cp_log_handling.mod pao_param_exp.mod pao_param_linpot.mod base_hooks.mod message_passing.mod pao_input.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_param.F pao_param.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_param.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_param.mod' due to: pao_param.o /build/reproducible-path/cp2k-8.1/src/pao_param.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod pao_types.mod qs_environment_types.mod kinds.mod pao_param_exp.mod message_passing.mod pao_param_linpot.mod cp_log_handling.mod base_hooks.mod pao_input.mod pao_param_gth.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_param.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_param.mod' due to: pao_param.o /build/reproducible-path/cp2k-8.1/src/pao_param.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod qs_environment_types.mod pao_types.mod kinds.mod pao_param_gth.mod cp_log_handling.mod pao_param_exp.mod pao_param_linpot.mod base_hooks.mod message_passing.mod pao_input.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_io.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod dm_ls_scf_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod cp_para_types.mod pao_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_files.mod cp_output_handling.mod base_hooks.mod physcon.mod pao_param.mod cp_log_handling.mod pao_input.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_io.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod dm_ls_scf_types.mod particle_types.mod pao_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_output_handling.mod pao_param.mod kinds.mod base_hooks.mod physcon.mod cp_files.mod pao_input.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_io.F pao_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:20:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_io.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_io.mod' due to: pao_io.o /build/reproducible-path/cp2k-8.1/src/pao_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod dm_ls_scf_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod cp_para_types.mod pao_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_files.mod cp_output_handling.mod base_hooks.mod physcon.mod pao_param.mod cp_log_handling.mod pao_input.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_ml_descriptor.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod pao_types.mod cell_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod util.mod pao_potentials.mod base_hooks.mod mathconstants.mod pao_input.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F pao_ml_descriptor.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_ml_descriptor.F90 -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:316:100: - - 316 | block_M(:, :) = block_M(:, :) + w*MATMUL(S_evecs(:, k:k), TRANSPOSE(S_evecs(:, k:k))) - | ^ -Warning: 'block_m.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:214:67: - - 214 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs - | ^ -note: 'block_m.dim[1].ubound' was declared here -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:214:67: Warning: 'block_m.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:313:28: - - 313 | block_M = 0.0_dp - | ^ -Warning: 'block_m.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:214:67: - - 214 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs - | ^ -note: 'block_m.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:214:67: Warning: 'block_m.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:111:67: - - 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs - | ^ -Warning: 'block_m.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:159:28: - - 159 | block_M = 0.0_dp - | ^ -Warning: 'block_m.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:111:67: - - 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs - | ^ -note: 'block_m.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_ml_descriptor.mod' due to: pao_ml_descriptor.o /build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod pao_types.mod cell_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod util.mod pao_potentials.mod base_hooks.mod mathconstants.mod pao_input.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_ml_neuralnet.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_ml_neuralnet.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod pao_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_ml_neuralnet.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_ml_neuralnet.mod' due to: pao_ml_neuralnet.o /build/reproducible-path/cp2k-8.1/src/pao_ml_neuralnet.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod pao_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:30:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_io.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_io.mod' due to: pao_io.o /build/reproducible-path/cp2k-8.1/src/pao_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod dm_ls_scf_types.mod particle_types.mod pao_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_output_handling.mod pao_param.mod kinds.mod base_hooks.mod physcon.mod cp_files.mod pao_input.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_ml.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_ml.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod cell_types.mod pao_types.mod particle_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod pao_ml_gaussprocess.mod message_passing.mod pao_io.mod pao_ml_descriptor.mod pao_ml_neuralnet.mod base_hooks.mod pao_input.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_ml.F pao_ml.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_ml.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_ml.mod' due to: pao_ml.o /build/reproducible-path/cp2k-8.1/src/pao_ml.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod cell_types.mod pao_types.mod particle_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod pao_ml_gaussprocess.mod message_passing.mod pao_io.mod pao_ml_descriptor.mod pao_ml_neuralnet.mod base_hooks.mod pao_input.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_wf_history_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_wf_history_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod pw_pool_types.mod pw_env_types.mod pw_types.mod cp_fm_pool_types.mod qs_wf_history_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod pw_methods.mod mathlib.mod bibliography.mod cp_output_handling.mod qs_rho_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_matrix_pools.mod qs_mo_methods.mod cp_dbcsr_operations.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_wf_history_methods.F qs_wf_history_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_wf_history_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_wf_history_methods.mod' due to: qs_wf_history_methods.o /build/reproducible-path/cp2k-8.1/src/qs_wf_history_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod pw_pool_types.mod pw_env_types.mod pw_types.mod cp_fm_pool_types.mod qs_wf_history_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod pw_methods.mod mathlib.mod bibliography.mod cp_output_handling.mod qs_rho_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_matrix_pools.mod qs_mo_methods.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gspace_mixing.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gspace_mixing.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod pw_pool_types.mod qs_density_mixing_types.mod cp_para_types.mod pw_types.mod cp_control_types.mod qs_environment_types.mod pw_env_types.mod qs_rho_types.mod mathlib.mod kinds.mod message_passing.mod pw_methods.mod base_hooks.mod qs_scf_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gspace_mixing.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gspace_mixing.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod qs_rho_types.mod pw_pool_types.mod pw_env_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod qs_scf_methods.mod kinds.mod base_hooks.mod mathlib.mod pw_methods.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gspace_mixing.F qs_gspace_mixing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_gspace_mixing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gspace_mixing.F90 /build/reproducible-path/cp2k-8.1/src/qs_gspace_mixing.F:714:108: 714 | mixing_store%drho_buffer(ib, ispin)%cc(:) = mixing_store%drho_buffer(ib, ispin)%cc(:)/delta_norm @@ -44042,56 +43693,31 @@ 1126 | z_vec(jb, ispin)%cc(:) = tmp(:) | ^ Warning: 'tmp.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gspace_mixing.mod' due to: qs_gspace_mixing.o /build/reproducible-path/cp2k-8.1/src/qs_gspace_mixing.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod pw_pool_types.mod qs_density_mixing_types.mod cp_para_types.mod pw_types.mod cp_control_types.mod qs_environment_types.mod pw_env_types.mod qs_rho_types.mod mathlib.mod kinds.mod message_passing.mod pw_methods.mod base_hooks.mod qs_scf_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gspace_mixing.mod' due to: qs_gspace_mixing.o /build/reproducible-path/cp2k-8.1/src/qs_gspace_mixing.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod qs_rho_types.mod pw_pool_types.mod pw_env_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod qs_scf_methods.mod kinds.mod base_hooks.mod mathlib.mod pw_methods.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_lanczos.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_lanczos.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod message_passing.mod cp_fm_diag.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_lanczos.F qs_scf_lanczos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_lanczos.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_lanczos.mod' due to: qs_scf_lanczos.o /build/reproducible-path/cp2k-8.1/src/qs_scf_lanczos.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod message_passing.mod cp_fm_diag.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'preconditioner_makes.o' due to: /build/reproducible-path/cp2k-8.1/src/preconditioner_makes.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod input_constants.mod cp_fm_cholesky.mod arnoldi_api.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/preconditioner_makes.F preconditioner_makes.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' preconditioner_makes.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'preconditioner_makes.mod' due to: preconditioner_makes.o /build/reproducible-path/cp2k-8.1/src/preconditioner_makes.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod input_constants.mod cp_fm_cholesky.mod arnoldi_api.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'preconditioner_solvers.o' due to: /build/reproducible-path/cp2k-8.1/src/preconditioner_solvers.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod preconditioner_types.mod kinds.mod bibliography.mod iterate_matrix.mod cp_fm_cholesky.mod cp_blacs_env.mod arnoldi_api.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod input_constants.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'preconditioner_solvers.o' due to: /build/reproducible-path/cp2k-8.1/src/preconditioner_solvers.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_para_types.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod cp_fm_cholesky.mod iterate_matrix.mod kinds.mod base_hooks.mod input_constants.mod bibliography.mod cp_blacs_env.mod arnoldi_api.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/preconditioner_solvers.F preconditioner_solvers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' preconditioner_solvers.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'preconditioner_solvers.mod' due to: preconditioner_solvers.o /build/reproducible-path/cp2k-8.1/src/preconditioner_solvers.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod preconditioner_types.mod kinds.mod bibliography.mod iterate_matrix.mod cp_fm_cholesky.mod cp_blacs_env.mod arnoldi_api.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod input_constants.mod cp_fm_basic_linalg.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' preconditioner_solvers.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'preconditioner_solvers.mod' due to: preconditioner_solvers.o /build/reproducible-path/cp2k-8.1/src/preconditioner_solvers.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_para_types.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod cp_fm_cholesky.mod iterate_matrix.mod kinds.mod base_hooks.mod input_constants.mod bibliography.mod cp_blacs_env.mod arnoldi_api.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'preconditioner_apply.o' due to: /build/reproducible-path/cp2k-8.1/src/preconditioner_apply.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'preconditioner_apply.o' due to: /build/reproducible-path/cp2k-8.1/src/preconditioner_apply.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_gemm_interface.mod kinds.mod base_hooks.mod input_constants.mod cp_fm_cholesky.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/preconditioner_apply.F preconditioner_apply.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' preconditioner_apply.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'preconditioner_apply.mod' due to: preconditioner_apply.o /build/reproducible-path/cp2k-8.1/src/preconditioner_apply.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'preconditioner_makes.o' due to: /build/reproducible-path/cp2k-8.1/src/preconditioner_makes.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod cp_fm_diag.mod arnoldi_api.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod input_constants.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/preconditioner_makes.F preconditioner_makes.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' preconditioner_makes.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'preconditioner_makes.mod' due to: preconditioner_makes.o /build/reproducible-path/cp2k-8.1/src/preconditioner_makes.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod cp_fm_diag.mod arnoldi_api.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod input_constants.mod cp_fm_basic_linalg.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' preconditioner_apply.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'preconditioner_apply.mod' due to: preconditioner_apply.o /build/reproducible-path/cp2k-8.1/src/preconditioner_apply.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_gemm_interface.mod kinds.mod base_hooks.mod input_constants.mod cp_fm_cholesky.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'preconditioner.o' due to: /build/reproducible-path/cp2k-8.1/src/preconditioner.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod preconditioner_types.mod kinds.mod preconditioner_solvers.mod cp_blacs_env.mod preconditioner_apply.mod qs_mo_methods.mod cp_dbcsr_operations.mod preconditioner_makes.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'preconditioner.o' due to: /build/reproducible-path/cp2k-8.1/src/preconditioner.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod qs_mo_types.mod qs_mo_methods.mod kinds.mod cp_dbcsr_operations.mod preconditioner_makes.mod input_constants.mod base_hooks.mod preconditioner_solvers.mod preconditioner_apply.mod cp_blacs_env.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/preconditioner.F preconditioner.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' preconditioner.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'preconditioner.mod' due to: preconditioner.o /build/reproducible-path/cp2k-8.1/src/preconditioner.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod preconditioner_types.mod kinds.mod preconditioner_solvers.mod cp_blacs_env.mod preconditioner_apply.mod qs_mo_methods.mod cp_dbcsr_operations.mod preconditioner_makes.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ot.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ot.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod preconditioner_types.mod kinds.mod message_passing.mod cp_dbcsr_cholesky.mod arnoldi_api.mod cp_dbcsr_diag.mod base_hooks.mod preconditioner.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ot.F qs_ot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ot.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ot.mod' due to: qs_ot.o /build/reproducible-path/cp2k-8.1/src/qs_ot.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod preconditioner_types.mod kinds.mod message_passing.mod cp_dbcsr_cholesky.mod arnoldi_api.mod cp_dbcsr_diag.mod base_hooks.mod preconditioner.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ot_minimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ot_minimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod kinds.mod qs_ot.mod cp_log_handling.mod base_hooks.mod preconditioner.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ot_minimizer.F qs_ot_minimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ot_minimizer.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ot_minimizer.mod' due to: qs_ot_minimizer.o /build/reproducible-path/cp2k-8.1/src/qs_ot_minimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod kinds.mod qs_ot.mod cp_log_handling.mod base_hooks.mod preconditioner.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' preconditioner.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'preconditioner.mod' due to: preconditioner.o /build/reproducible-path/cp2k-8.1/src/preconditioner.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod qs_mo_types.mod qs_mo_methods.mod kinds.mod cp_dbcsr_operations.mod preconditioner_makes.mod input_constants.mod base_hooks.mod preconditioner_solvers.mod preconditioner_apply.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ot_eigensolver.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ot_eigensolver.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_ot_types.mod preconditioner_types.mod kinds.mod qs_ot.mod qs_ot_minimizer.mod cp_dbcsr_cholesky.mod qs_mo_methods.mod cp_log_handling.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ot_eigensolver.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ot_eigensolver.mod' due to: qs_ot_eigensolver.o /build/reproducible-path/cp2k-8.1/src/qs_ot_eigensolver.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_ot_types.mod preconditioner_types.mod kinds.mod qs_ot.mod qs_ot_minimizer.mod cp_dbcsr_cholesky.mod qs_mo_methods.mod cp_log_handling.mod cp_dbcsr_operations.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_diis.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_diis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod cp_para_types.mod qs_diis_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod mathlib.mod cp_gemm_interface.mod kinds.mod string_utilities.mod cp_output_handling.mod cp_dbcsr_operations.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_diis.F qs_diis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_diis.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_diis.mod' due to: qs_diis.o /build/reproducible-path/cp2k-8.1/src/qs_diis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod cp_para_types.mod qs_diis_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod mathlib.mod cp_gemm_interface.mod kinds.mod string_utilities.mod cp_output_handling.mod cp_dbcsr_operations.mod cp_fm_struct.mod cp_log_handling.mod base_hooks.mod cp_fm_basic_linalg.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_block_davidson.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_block_davidson.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_block_davidson_types.mod preconditioner_types.mod cp_fm_types.mod qs_mo_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod preconditioner.mod machine.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_block_davidson.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_block_davidson.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod qs_mo_types.mod qs_block_davidson_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod preconditioner.mod base_hooks.mod message_passing.mod cp_fm_cholesky.mod machine.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_block_davidson.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_block_davidson.F90 /build/reproducible-path/cp2k-8.1/src/qs_scf_block_davidson.F:885:42: 885 | i_last = inotconv_set(j, 2) @@ -44102,41 +43728,66 @@ 884 | i_first = inotconv_set(j, 1) | ^ Warning: 'inotconv_set.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_block_davidson.mod' due to: qs_scf_block_davidson.o /build/reproducible-path/cp2k-8.1/src/qs_scf_block_davidson.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_block_davidson_types.mod preconditioner_types.mod cp_fm_types.mod qs_mo_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod preconditioner.mod machine.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_block_davidson.mod' due to: qs_scf_block_davidson.o /build/reproducible-path/cp2k-8.1/src/qs_scf_block_davidson.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod qs_mo_types.mod qs_block_davidson_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod preconditioner.mod base_hooks.mod message_passing.mod cp_fm_cholesky.mod machine.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_lanczos.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_lanczos.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod scf_control_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_fm_cholesky.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_lanczos.F qs_scf_lanczos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_lanczos.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_lanczos.mod' due to: qs_scf_lanczos.o /build/reproducible-path/cp2k-8.1/src/qs_scf_lanczos.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod scf_control_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_fm_cholesky.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ot.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ot.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod qs_ot_types.mod cp_dbcsr_cholesky.mod kinds.mod preconditioner.mod base_hooks.mod cp_dbcsr_diag.mod message_passing.mod arnoldi_api.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ot.F qs_ot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ot.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ot.mod' due to: qs_ot.o /build/reproducible-path/cp2k-8.1/src/qs_ot.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod qs_ot_types.mod cp_dbcsr_cholesky.mod kinds.mod preconditioner.mod base_hooks.mod cp_dbcsr_diag.mod message_passing.mod arnoldi_api.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_diagonalization.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_diagonalization.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod cp_cfm_types.mod cp_fm_pool_types.mod qs_density_mixing_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod qs_gspace_mixing.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_mo_occupation.mod qs_mixing_utils.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod qs_scf_lanczos.mod machine.mod qs_matrix_pools.mod cp_log_handling.mod qs_ot_eigensolver.mod qs_diis.mod input_constants.mod qs_ks_methods.mod kpoint_methods.mod cp_gemm_interface.mod cp_array_utils.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod qs_scf_block_davidson.mod preconditioner.mod qs_scf_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ot_minimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ot_minimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod kinds.mod preconditioner.mod cp_log_handling.mod base_hooks.mod qs_ot.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ot_minimizer.F qs_ot_minimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ot_minimizer.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ot_minimizer.mod' due to: qs_ot_minimizer.o /build/reproducible-path/cp2k-8.1/src/qs_ot_minimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod kinds.mod preconditioner.mod cp_log_handling.mod base_hooks.mod qs_ot.mod mathlib.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ot_eigensolver.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ot_eigensolver.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod qs_ot_types.mod qs_mo_methods.mod qs_ot_minimizer.mod cp_dbcsr_cholesky.mod cp_dbcsr_operations.mod kinds.mod cp_log_handling.mod base_hooks.mod qs_ot.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ot_eigensolver.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ot_eigensolver.mod' due to: qs_ot_eigensolver.o /build/reproducible-path/cp2k-8.1/src/qs_ot_eigensolver.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod qs_ot_types.mod qs_mo_methods.mod qs_ot_minimizer.mod cp_dbcsr_cholesky.mod cp_dbcsr_operations.mod kinds.mod cp_log_handling.mod base_hooks.mod qs_ot.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_diis.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_diis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_diis_types.mod input_section_types.mod cp_fm_types.mod cp_para_types.mod dm_ls_scf_types.mod qs_mo_types.mod qs_environment_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod cp_log_handling.mod string_utilities.mod base_hooks.mod mathlib.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_diis.F qs_diis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_diis.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_diis.mod' due to: qs_diis.o /build/reproducible-path/cp2k-8.1/src/qs_diis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_diis_types.mod input_section_types.mod cp_fm_types.mod cp_para_types.mod dm_ls_scf_types.mod qs_mo_types.mod qs_environment_types.mod cp_gemm_interface.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod cp_log_handling.mod string_utilities.mod base_hooks.mod mathlib.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_diagonalization.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_diagonalization.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod cp_fm_types.mod qs_scf_types.mod cp_cfm_types.mod qs_mo_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_ks_types.mod qs_rho_atom_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_neighbor_list_types.mod qs_density_mixing_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mixing_utils.mod kpoint_methods.mod cp_dbcsr_cp2k_link.mod qs_gspace_mixing.mod cp_cfm_diag.mod cp_output_handling.mod machine.mod qs_rho_methods.mod qs_scf_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_cfm_basic_linalg.mod qs_mo_occupation.mod cp_fm_cholesky.mod qs_matrix_pools.mod qs_mo_methods.mod qs_scf_block_davidson.mod qs_scf_lanczos.mod cp_dbcsr_operations.mod preconditioner.mod qs_ot_eigensolver.mod input_constants.mod cp_array_utils.mod qs_diis.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_diagonalization.F qs_scf_diagonalization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_diagonalization.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_diagonalization.mod' due to: qs_scf_diagonalization.o /build/reproducible-path/cp2k-8.1/src/qs_scf_diagonalization.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod cp_cfm_types.mod cp_fm_pool_types.mod qs_density_mixing_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod qs_gspace_mixing.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_mo_occupation.mod qs_mixing_utils.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod qs_scf_lanczos.mod machine.mod qs_matrix_pools.mod cp_log_handling.mod qs_ot_eigensolver.mod qs_diis.mod input_constants.mod qs_ks_methods.mod kpoint_methods.mod cp_gemm_interface.mod cp_array_utils.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod qs_scf_block_davidson.mod preconditioner.mod qs_scf_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_diagonalization.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_diagonalization.mod' due to: qs_scf_diagonalization.o /build/reproducible-path/cp2k-8.1/src/qs_scf_diagonalization.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod cp_fm_types.mod qs_scf_types.mod cp_cfm_types.mod qs_mo_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_ks_types.mod qs_rho_atom_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_neighbor_list_types.mod qs_density_mixing_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mixing_utils.mod kpoint_methods.mod cp_dbcsr_cp2k_link.mod qs_gspace_mixing.mod cp_cfm_diag.mod cp_output_handling.mod machine.mod qs_rho_methods.mod qs_scf_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_cfm_basic_linalg.mod qs_mo_occupation.mod cp_fm_cholesky.mod qs_matrix_pools.mod qs_mo_methods.mod qs_scf_block_davidson.mod qs_scf_lanczos.mod cp_dbcsr_operations.mod preconditioner.mod qs_ot_eigensolver.mod input_constants.mod cp_array_utils.mod qs_diis.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mom_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mom_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod kinds.mod qs_scf_diagonalization.mod cp_blacs_env.mod string_utilities.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod util.mod bibliography.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod input_constants.mod cp_gemm_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_mom_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_mom_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod scf_control_types.mod cp_fm_basic_linalg.mod qs_scf_diagonalization.mod util.mod bibliography.mod cp_blacs_env.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_mo_methods.mod cp_dbcsr_operations.mod string_utilities.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_mom_methods.F qs_mom_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_mom_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mom_methods.mod' due to: qs_mom_methods.o /build/reproducible-path/cp2k-8.1/src/qs_mom_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod kinds.mod qs_scf_diagonalization.mod cp_blacs_env.mod string_utilities.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod util.mod bibliography.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod input_constants.mod cp_gemm_interface.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mom_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_mom_methods.mod' due to: qs_mom_methods.o /build/reproducible-path/cp2k-8.1/src/qs_mom_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod scf_control_types.mod cp_fm_basic_linalg.mod qs_scf_diagonalization.mod util.mod bibliography.mod cp_blacs_env.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_mo_methods.mod cp_dbcsr_operations.mod string_utilities.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kpoint_io.o' due to: /build/reproducible-path/cp2k-8.1/src/kpoint_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod cp_fm_types.mod cp_para_types.mod qs_dftb_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_files.mod cp_output_handling.mod qs_dftb_utils.mod base_hooks.mod qs_mo_io.mod cp_log_handling.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kpoint_io.o' due to: /build/reproducible-path/cp2k-8.1/src/kpoint_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod qs_scf_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod qs_dftb_types.mod cp_log_handling.mod message_passing.mod orbital_pointers.mod cp_output_handling.mod qs_dftb_utils.mod qs_mo_io.mod kinds.mod base_hooks.mod cp_files.mod cp_dbcsr_operations.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kpoint_io.F kpoint_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kpoint_io.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kpoint_io.mod' due to: kpoint_io.o /build/reproducible-path/cp2k-8.1/src/kpoint_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod cp_fm_types.mod cp_para_types.mod qs_dftb_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_files.mod cp_output_handling.mod qs_dftb_utils.mod base_hooks.mod qs_mo_io.mod cp_log_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kpoint_io.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kpoint_io.mod' due to: kpoint_io.o /build/reproducible-path/cp2k-8.1/src/kpoint_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod qs_scf_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod qs_dftb_types.mod cp_log_handling.mod message_passing.mod orbital_pointers.mod cp_output_handling.mod qs_dftb_utils.mod qs_mo_io.mod kinds.mod base_hooks.mod cp_files.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_initial_guess.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_initial_guess.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod xtb_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod qs_mo_occupation.mod qs_mom_methods.mod atom_kind_orbitals.mod util.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod qs_dftb_utils.mod base_hooks.mod qs_mo_io.mod qs_wf_history_methods.mod particle_methods.mod input_cp2k_hfx.mod cp_log_handling.mod input_constants.mod cp_fm_cholesky.mod kpoint_io.mod qs_scf_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_initial_guess.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_initial_guess.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod external_potential_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod xtb_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod util.mod particle_methods.mod cp_output_handling.mod atom_kind_orbitals.mod qs_rho_methods.mod qs_dftb_utils.mod qs_wf_history_methods.mod qs_mom_methods.mod qs_scf_methods.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod qs_mo_occupation.mod cp_fm_cholesky.mod input_cp2k_hfx.mod qs_mo_methods.mod cp_dbcsr_operations.mod input_constants.mod kpoint_io.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_initial_guess.F qs_initial_guess.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:21:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_initial_guess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_initial_guess.F90 /build/reproducible-path/cp2k-8.1/src/qs_initial_guess.F:448:13: 448 | IF (not_read > 1) THEN | ^ Warning: 'not_read' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_initial_guess.mod' due to: qs_initial_guess.o /build/reproducible-path/cp2k-8.1/src/qs_initial_guess.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod external_potential_types.mod xtb_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod qs_mo_occupation.mod qs_mom_methods.mod atom_kind_orbitals.mod util.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod qs_dftb_utils.mod base_hooks.mod qs_mo_io.mod qs_wf_history_methods.mod particle_methods.mod input_cp2k_hfx.mod cp_log_handling.mod input_constants.mod cp_fm_cholesky.mod kpoint_io.mod qs_scf_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_initial_guess.mod' due to: qs_initial_guess.o /build/reproducible-path/cp2k-8.1/src/qs_initial_guess.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod external_potential_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod xtb_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod util.mod particle_methods.mod cp_output_handling.mod atom_kind_orbitals.mod qs_rho_methods.mod qs_dftb_utils.mod qs_wf_history_methods.mod qs_mom_methods.mod qs_scf_methods.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod qs_mo_occupation.mod cp_fm_cholesky.mod input_cp2k_hfx.mod qs_mo_methods.mod cp_dbcsr_operations.mod input_constants.mod kpoint_io.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_qs.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_qs.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_subsys_types.mod dm_ls_scf_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_density_mixing_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod particle_list_types.mod qs_neighbor_list_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_gspace_mixing.mod cp_dbcsr_operations.mod qs_mixing_utils.mod qs_initial_guess.mod qs_rho_methods.mod base_hooks.mod pw_methods.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod cp_dbcsr_cp2k_link.mod cp_realspace_grid_cube.mod qs_collocate_density.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_qs.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_qs.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod dm_ls_scf_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod qs_rho_atom_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod qs_neighbor_list_types.mod qs_density_mixing_types.mod cp_log_handling.mod qs_mixing_utils.mod qs_initial_guess.mod cp_dbcsr_cp2k_link.mod cp_realspace_grid_cube.mod pw_methods.mod qs_gspace_mixing.mod qs_rho_methods.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dm_ls_scf_qs.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_qs.mod' due to: dm_ls_scf_qs.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_qs.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_subsys_types.mod dm_ls_scf_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_density_mixing_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod particle_list_types.mod qs_neighbor_list_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_gspace_mixing.mod cp_dbcsr_operations.mod qs_mixing_utils.mod qs_initial_guess.mod qs_rho_methods.mod base_hooks.mod pw_methods.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod cp_dbcsr_cp2k_link.mod cp_realspace_grid_cube.mod qs_collocate_density.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf_qs.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_qs.mod' due to: dm_ls_scf_qs.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_qs.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod dm_ls_scf_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod qs_rho_atom_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod qs_neighbor_list_types.mod qs_density_mixing_types.mod cp_log_handling.mod qs_mixing_utils.mod qs_initial_guess.mod cp_dbcsr_cp2k_link.mod cp_realspace_grid_cube.mod pw_methods.mod qs_gspace_mixing.mod qs_rho_methods.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod mathlib.mod kinds.mod iterate_matrix.mod arnoldi_api.mod cp_log_handling.mod dm_ls_scf_qs.mod base_hooks.mod input_constants.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod kinds.mod cp_log_handling.mod iterate_matrix.mod base_hooks.mod input_constants.mod dm_ls_scf_qs.mod mathlib.mod arnoldi_api.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_methods.F dm_ls_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dm_ls_scf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:31:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf_methods.F90 /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_methods.F:1372:79: 1372 | xr = (xr*xr)*(4*xr - 3*xr*xr) + gamma_values(k)*xr*xr*((1 - xr)**2) @@ -44163,11 +43814,70 @@ | ^ Warning: 'mu_low' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_methods.F:440:19: Warning: 'mu_high' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_methods.mod' due to: dm_ls_scf_methods.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod mathlib.mod kinds.mod iterate_matrix.mod arnoldi_api.mod cp_log_handling.mod dm_ls_scf_qs.mod base_hooks.mod input_constants.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_methods.mod' due to: dm_ls_scf_methods.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod kinds.mod cp_log_handling.mod iterate_matrix.mod base_hooks.mod input_constants.mod dm_ls_scf_qs.mod mathlib.mod arnoldi_api.mod machine.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_ml_descriptor.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_kind_types.mod particle_types.mod cell_types.mod pao_types.mod mathconstants.mod kinds.mod pao_potentials.mod base_hooks.mod mathlib.mod pao_input.mod util.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F pao_ml_descriptor.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_ml_descriptor.F90 +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:316:100: + + 316 | block_M(:, :) = block_M(:, :) + w*MATMUL(S_evecs(:, k:k), TRANSPOSE(S_evecs(:, k:k))) + | ^ +Warning: 'block_m.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:214:67: + + 214 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs + | ^ +note: 'block_m.dim[1].ubound' was declared here +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:214:67: Warning: 'block_m.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:313:28: + + 313 | block_M = 0.0_dp + | ^ +Warning: 'block_m.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:214:67: + + 214 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs + | ^ +note: 'block_m.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:214:67: Warning: 'block_m.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:111:67: + + 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs + | ^ +Warning: 'block_m.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:159:28: + + 159 | block_M = 0.0_dp + | ^ +Warning: 'block_m.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:111:67: + + 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs + | ^ +note: 'block_m.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_ml_descriptor.mod' due to: pao_ml_descriptor.o /build/reproducible-path/cp2k-8.1/src/pao_ml_descriptor.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_kind_types.mod particle_types.mod cell_types.mod pao_types.mod mathconstants.mod kinds.mod pao_potentials.mod base_hooks.mod mathlib.mod pao_input.mod util.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_ml_neuralnet.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_ml_neuralnet.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod pao_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_ml_neuralnet.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_ml_neuralnet.mod' due to: pao_ml_neuralnet.o /build/reproducible-path/cp2k-8.1/src/pao_ml_neuralnet.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod pao_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_ml_gaussprocess.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_ml_gaussprocess.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_ml_gaussprocess.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_ml_gaussprocess.mod' due to: pao_ml_gaussprocess.o /build/reproducible-path/cp2k-8.1/src/pao_ml_gaussprocess.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_ml.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_ml.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod pao_types.mod pao_ml_descriptor.mod pao_ml_neuralnet.mod pao_io.mod kinds.mod pao_ml_gaussprocess.mod base_hooks.mod message_passing.mod pao_input.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_ml.F pao_ml.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_ml.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_ml.mod' due to: pao_ml.o /build/reproducible-path/cp2k-8.1/src/pao_ml.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod pao_types.mod pao_ml_descriptor.mod pao_ml_neuralnet.mod pao_io.mod kinds.mod pao_ml_gaussprocess.mod base_hooks.mod message_passing.mod pao_input.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod dm_ls_scf_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod pao_types.mod basis_set_types.mod kinds.mod ao_util.mod message_passing.mod pao_ml.mod qs_initial_guess.mod bibliography.mod iterate_matrix.mod qs_rho_methods.mod base_hooks.mod machine.mod dm_ls_scf_qs.mod pao_param.mod cp_log_handling.mod dm_ls_scf_methods.mod qs_ks_methods.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod dm_ls_scf_types.mod particle_types.mod pao_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod ao_util.mod message_passing.mod dm_ls_scf_methods.mod qs_initial_guess.mod mathlib.mod bibliography.mod pao_ml.mod machine.mod pao_param.mod qs_rho_methods.mod kinds.mod base_hooks.mod dm_ls_scf_qs.mod qs_ks_methods.mod iterate_matrix.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_methods.F pao_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_methods.F90 /build/reproducible-path/cp2k-8.1/src/pao_methods.F:1023:32: 1023 | block_X(i, j) = old_Xij @@ -44178,36 +43888,403 @@ 975 | delta = ABS(Gij_num - block_G(i, j)) | ^ Warning: 'gij_num' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_methods.mod' due to: pao_methods.o /build/reproducible-path/cp2k-8.1/src/pao_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod dm_ls_scf_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod pao_types.mod basis_set_types.mod kinds.mod ao_util.mod message_passing.mod pao_ml.mod qs_initial_guess.mod bibliography.mod iterate_matrix.mod qs_rho_methods.mod base_hooks.mod machine.mod dm_ls_scf_qs.mod pao_param.mod cp_log_handling.mod dm_ls_scf_methods.mod qs_ks_methods.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_methods.mod' due to: pao_methods.o /build/reproducible-path/cp2k-8.1/src/pao_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod dm_ls_scf_types.mod particle_types.mod pao_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod ao_util.mod message_passing.mod dm_ls_scf_methods.mod qs_initial_guess.mod mathlib.mod bibliography.mod pao_ml.mod machine.mod pao_param.mod qs_rho_methods.mod kinds.mod base_hooks.mod dm_ls_scf_qs.mod qs_ks_methods.mod iterate_matrix.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_optimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_optimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod arnoldi_api.mod base_hooks.mod pao_input.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_optimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_optimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod base_hooks.mod pao_input.mod arnoldi_api.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_optimizer.F pao_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_optimizer.F90 /build/reproducible-path/cp2k-8.1/src/pao_optimizer.F:197:13: 197 | IF (beta < 0.0_dp) THEN | ^ Warning: 'beta' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_optimizer.mod' due to: pao_optimizer.o /build/reproducible-path/cp2k-8.1/src/pao_optimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod arnoldi_api.mod base_hooks.mod pao_input.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_optimizer.mod' due to: pao_optimizer.o /build/reproducible-path/cp2k-8.1/src/pao_optimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod base_hooks.mod pao_input.mod arnoldi_api.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_main.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod pao_types.mod qs_environment_types.mod kinds.mod bibliography.mod pao_methods.mod pao_io.mod pao_optimizer.mod cp_external_control.mod linesearch.mod pao_param.mod base_hooks.mod pao_ml.mod pao_input.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pao_main.o' due to: /build/reproducible-path/cp2k-8.1/src/pao_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_environment_types.mod pao_types.mod dm_ls_scf_types.mod pao_io.mod pao_methods.mod kinds.mod base_hooks.mod pao_optimizer.mod bibliography.mod pao_input.mod pao_ml.mod cp_external_control.mod machine.mod pao_param.mod linesearch.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pao_main.F pao_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pao_main.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_main.mod' due to: pao_main.o /build/reproducible-path/cp2k-8.1/src/pao_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod pao_types.mod qs_environment_types.mod kinds.mod bibliography.mod pao_methods.mod pao_io.mod pao_optimizer.mod cp_external_control.mod linesearch.mod pao_param.mod base_hooks.mod pao_ml.mod pao_input.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_main.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pao_main.mod' due to: pao_main.o /build/reproducible-path/cp2k-8.1/src/pao_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_environment_types.mod pao_types.mod dm_ls_scf_types.mod pao_io.mod pao_methods.mod kinds.mod base_hooks.mod pao_optimizer.mod bibliography.mod pao_input.mod pao_ml.mod cp_external_control.mod machine.mod pao_param.mod linesearch.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pexsi_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pexsi_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod input_section_types.mod dm_ls_scf_types.mod qs_ks_types.mod pexsi_types.mod qs_environment_types.mod kinds.mod message_passing.mod cp_dbcsr_cp2k_link.mod pexsi_interface.mod arnoldi_api.mod cp_dbcsr_operations.mod cp_log_handling.mod dm_ls_scf_qs.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pexsi_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/pexsi_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pexsi_types.mod qs_energy_types.mod dm_ls_scf_types.mod qs_ks_types.mod qs_environment_types.mod kinds.mod cp_dbcsr_operations.mod cp_log_handling.mod base_hooks.mod cp_dbcsr_cp2k_link.mod dm_ls_scf_qs.mod message_passing.mod arnoldi_api.mod pexsi_interface.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pexsi_methods.F pexsi_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pexsi_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pexsi_methods.mod' due to: pexsi_methods.o /build/reproducible-path/cp2k-8.1/src/pexsi_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod input_section_types.mod dm_ls_scf_types.mod qs_ks_types.mod pexsi_types.mod qs_environment_types.mod kinds.mod message_passing.mod cp_dbcsr_cp2k_link.mod pexsi_interface.mod arnoldi_api.mod cp_dbcsr_operations.mod cp_log_handling.mod dm_ls_scf_qs.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pexsi_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pexsi_methods.mod' due to: pexsi_methods.o /build/reproducible-path/cp2k-8.1/src/pexsi_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pexsi_types.mod qs_energy_types.mod dm_ls_scf_types.mod qs_ks_types.mod qs_environment_types.mod kinds.mod cp_dbcsr_operations.mod cp_log_handling.mod base_hooks.mod cp_dbcsr_cp2k_link.mod dm_ls_scf_qs.mod message_passing.mod arnoldi_api.mod pexsi_interface.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_create.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_create.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod pexsi_types.mod qs_density_mixing_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_enumeration_types.mod input_section_types.mod molecule_types.mod input_keyword_types.mod kinds.mod bibliography.mod base_hooks.mod machine.mod cp_para_env.mod cp_log_handling.mod input_constants.mod pao_main.mod pexsi_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_create.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_create.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod particle_types.mod qs_density_mixing_types.mod molecule_types.mod input_keyword_types.mod input_enumeration_types.mod cp_control_types.mod pexsi_types.mod qs_environment_types.mod cp_log_handling.mod pao_main.mod bibliography.mod machine.mod cp_para_env.mod kinds.mod base_hooks.mod pexsi_methods.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_create.F dm_ls_scf_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dm_ls_scf_create.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_create.mod' due to: dm_ls_scf_create.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_create.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod pexsi_types.mod qs_density_mixing_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_enumeration_types.mod input_section_types.mod molecule_types.mod input_keyword_types.mod kinds.mod bibliography.mod base_hooks.mod machine.mod cp_para_env.mod cp_log_handling.mod input_constants.mod pao_main.mod pexsi_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf_create.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_create.mod' due to: dm_ls_scf_create.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_create.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod particle_types.mod qs_density_mixing_types.mod molecule_types.mod input_keyword_types.mod input_enumeration_types.mod cp_control_types.mod pexsi_types.mod qs_environment_types.mod cp_log_handling.mod pao_main.mod bibliography.mod machine.mod cp_para_env.mod kinds.mod base_hooks.mod pexsi_methods.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'generic_shg_integrals_init.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod orbital_pointers.mod spherical_harmonics.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/shg_int/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' generic_shg_integrals_init.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'generic_shg_integrals_init.mod' due to: generic_shg_integrals_init.o /build/reproducible-path/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod orbital_pointers.mod spherical_harmonics.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_environment_init.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_environment_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod atomic_kind_types.mod cp_control_types.mod lri_environment_types.mod qs_kind_types.mod qs_environment_types.mod mathconstants.mod generic_shg_integrals.mod kinds.mod ao_util.mod base_hooks.mod generic_shg_integrals_init.mod bibliography.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_environment_init.F lri_environment_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_environment_init.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_environment_init.mod' due to: lri_environment_init.o /build/reproducible-path/cp2k-8.1/src/lri_environment_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod atomic_kind_types.mod cp_control_types.mod lri_environment_types.mod qs_kind_types.mod qs_environment_types.mod mathconstants.mod generic_shg_integrals.mod kinds.mod ao_util.mod base_hooks.mod generic_shg_integrals_init.mod bibliography.mod mathlib.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molsym.o' due to: /build/reproducible-path/cp2k-8.1/src/molsym.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/molsym.F molsym.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:32:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molsym.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molsym.mod' due to: molsym.o /build/reproducible-path/cp2k-8.1/src/molsym.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod mathlib.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_symmetry.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_symmetry.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod cell_types.mod molsym.mod kinds.mod cryssym.mod string_utilities.mod cp_log_handling.mod base_hooks.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_symmetry.F cp_symmetry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:33:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_symmetry.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_symmetry.mod' due to: cp_symmetry.o /build/reproducible-path/cp2k-8.1/src/cp_symmetry.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod cell_types.mod molsym.mod kinds.mod cryssym.mod string_utilities.mod cp_log_handling.mod base_hooks.mod physcon.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ec_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/ec_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod ec_env_types.mod atomic_kind_types.mod qs_dispersion_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod basis_set_container_types.mod qs_environment_types.mod qs_dispersion_utils.mod qs_interactions.mod orbital_pointers.mod kinds.mod base_hooks.mod qs_dispersion_nonloc.mod string_utilities.mod input_constants.mod qs_dispersion_pairpot.mod input_cp2k_check.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ec_environment.F ec_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:33:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ec_environment.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ec_environment.mod' due to: ec_environment.o /build/reproducible-path/cp2k-8.1/src/ec_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod ec_env_types.mod atomic_kind_types.mod qs_dispersion_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod basis_set_container_types.mod qs_environment_types.mod qs_dispersion_utils.mod qs_interactions.mod orbital_pointers.mod kinds.mod base_hooks.mod qs_dispersion_nonloc.mod string_utilities.mod input_constants.mod qs_dispersion_pairpot.mod input_cp2k_check.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_setup.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_setup.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod mp2_types.mod cp_eri_mme_interface.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_setup.F mp2_setup.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:33:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_setup.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_setup.mod' due to: mp2_setup.o /build/reproducible-path/cp2k-8.1/src/mp2_setup.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod mp2_types.mod cp_eri_mme_interface.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kg_vertex_coloring_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kg_environment_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_min_heap.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F kg_vertex_coloring_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:33:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kg_vertex_coloring_methods.F90 +/build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F:201:54: + + 201 | IF (newcolor .GT. ncolors) ncolors = newcolor + | ^ +Warning: 'newcolor' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F:174:89: + + 174 | INTEGER :: color, handle, i, j, newcolor, & + | ^ +note: 'newcolor' was declared here +/build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F:120:36: + + 120 | nneighbors = nneighbors + 1 + | ^ +Warning: 'nneighbors' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F:77:81: + + 77 | maxdegree, nneighbors, nnodes + | ^ +note: 'nneighbors' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kg_vertex_coloring_methods.mod' due to: kg_vertex_coloring_methods.o /build/reproducible-path/cp2k-8.1/src/kg_vertex_coloring_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kg_environment_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_min_heap.mod bibliography.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kg_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/kg_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod external_potential_types.mod integration_grid_types.mod kg_environment_types.mod particle_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod distribution_1d_types.mod basis_set_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod kg_vertex_coloring_methods.mod cp_log_handling.mod message_passing.mod util.mod qs_grid_atom.mod bibliography.mod qs_neighbor_lists.mod kinds.mod base_hooks.mod cp_files.mod string_utilities.mod input_constants.mod lri_environment_init.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kg_environment.F kg_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:33:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kg_environment.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kg_environment.mod' due to: kg_environment.o /build/reproducible-path/cp2k-8.1/src/kg_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod external_potential_types.mod integration_grid_types.mod kg_environment_types.mod particle_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod distribution_1d_types.mod basis_set_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod kg_vertex_coloring_methods.mod cp_log_handling.mod message_passing.mod util.mod qs_grid_atom.mod bibliography.mod qs_neighbor_lists.mod kinds.mod base_hooks.mod cp_files.mod string_utilities.mod input_constants.mod lri_environment_init.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_fields_input.o' due to: /build/reproducible-path/cp2k-8.1/src/force_fields_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_types.mod input_val_types.mod damping_dipole_types.mod shell_potential_types.mod force_field_kind_types.mod cp_para_types.mod pair_potential_types.mod cp_parser_types.mod cp_log_handling.mod force_fields_util.mod cp_units.mod cp_linked_list_input.mod cp_parser_methods.mod mathlib.mod bibliography.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod string_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_fields_input.F force_fields_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:33:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_fields_input.F90 +/build/reproducible-path/cp2k-8.1/src/force_fields_input.F:1289:71: + + 1289 | nonbonded%pot(start + isec)%pot%set(1)%gal%met1 = atm_names(1) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/force_fields_input.F:1290:71: + + 1290 | nonbonded%pot(start + isec)%pot%set(1)%gal%met2 = atm_names(2) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_fields_input.mod' due to: force_fields_input.o /build/reproducible-path/cp2k-8.1/src/force_fields_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_types.mod input_val_types.mod damping_dipole_types.mod shell_potential_types.mod force_field_kind_types.mod cp_para_types.mod pair_potential_types.mod cp_parser_types.mod cp_log_handling.mod force_fields_util.mod cp_units.mod cp_linked_list_input.mod cp_parser_methods.mod mathlib.mod bibliography.mod cp_output_handling.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod string_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_write_output.o' due to: /build/reproducible-path/cp2k-8.1/src/xc_write_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod xc_derivatives.mod base_hooks.mod input_constants.mod xc_libxc.mod input_cp2k_check.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc_write_output.F xc_write_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:33:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_write_output.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_write_output.mod' due to: xc_write_output.o /build/reproducible-path/cp2k-8.1/src/xc_write_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod xc_derivatives.mod base_hooks.mod input_constants.mod xc_libxc.mod input_cp2k_check.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_control_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_control_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_rho_cflags_types.mod pair_potential_types.mod input_keyword_types.mod input_enumeration_types.mod cp_control_types.mod input_cp2k_dft.mod cp_log_handling.mod qs_cdft_utils.mod util.mod cp_units.mod bibliography.mod force_fields_input.mod cp_output_handling.mod mathconstants.mod periodic_table.mod kinds.mod xc_input_constants.mod base_hooks.mod cp_files.mod xc_write_output.mod string_utilities.mod xc_derivatives.mod input_constants.mod input_cp2k_check.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_control_utils.F cp_control_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:33:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_control_utils.F90 +/build/reproducible-path/cp2k-8.1/src/cp_control_utils.F:1677:51: + + 1677 | method = enum_i2c(enum, qs_control%method_id) + | 1 +Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/cp_control_utils.F:1682:69: + + 1682 | quadrature = enum_i2c(enum, qs_control%gapw_control%quadrature) + | 1 +Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/cp_control_utils.F:208:53: + + 208 | dft_control%auto_basis_aux_fit = isize + | ^ +Warning: 'isize' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_control_utils.mod' due to: cp_control_utils.o /build/reproducible-path/cp2k-8.1/src/cp_control_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_rho_cflags_types.mod pair_potential_types.mod input_keyword_types.mod input_enumeration_types.mod cp_control_types.mod input_cp2k_dft.mod cp_log_handling.mod qs_cdft_utils.mod util.mod cp_units.mod bibliography.mod force_fields_input.mod cp_output_handling.mod mathconstants.mod periodic_table.mod kinds.mod xc_input_constants.mod base_hooks.mod cp_files.mod xc_write_output.mod string_utilities.mod xc_derivatives.mod input_constants.mod input_cp2k_check.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_parameters.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_parameters.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod cp_parser_types.mod qs_dftb_types.mod cp_log_handling.mod message_passing.mod cp_parser_methods.mod cp_output_handling.mod mathconstants.mod qs_dftb_utils.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod physcon.mod cp_files.mod string_utilities.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_parameters.F qs_dftb_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:33:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_parameters.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_parameters.mod' due to: qs_dftb_parameters.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_parameters.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod cp_parser_types.mod qs_dftb_types.mod cp_log_handling.mod message_passing.mod cp_parser_methods.mod cp_output_handling.mod mathconstants.mod qs_dftb_utils.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod physcon.mod cp_files.mod string_utilities.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gcp_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gcp_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod qs_gcp_types.mod cp_para_types.mod qs_kind_types.mod cp_parser_types.mod qs_environment_types.mod mathconstants.mod periodic_table.mod sto_ng.mod kinds.mod base_hooks.mod cp_parser_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gcp_utils.F qs_gcp_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gcp_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gcp_utils.mod' due to: qs_gcp_utils.o /build/reproducible-path/cp2k-8.1/src/qs_gcp_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod qs_gcp_types.mod cp_para_types.mod qs_kind_types.mod cp_parser_types.mod qs_environment_types.mod mathconstants.mod periodic_table.mod sto_ng.mod kinds.mod base_hooks.mod cp_parser_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod almo_scf_types.mod qs_environment_types.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_env_methods.F almo_scf_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_env_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_env_methods.mod' due to: almo_scf_env_methods.o /build/reproducible-path/cp2k-8.1/src/almo_scf_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod almo_scf_types.mod qs_environment_types.mod kinds.mod base_hooks.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_expns3_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod cp_control_types.mod qs_kind_types.mod semi_empirical_expns3_types.mod kinds.mod semi_empirical_utils.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod semi_empirical_int3_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_methods.F semi_empirical_expns3_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'semi_empirical_expns3_methods.mod' due to: semi_empirical_expns3_methods.o /build/reproducible-path/cp2k-8.1/src/semi_empirical_expns3_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod cp_control_types.mod qs_kind_types.mod semi_empirical_expns3_types.mod kinds.mod semi_empirical_utils.mod base_hooks.mod input_constants.mod semi_empirical_int_arrays.mod semi_empirical_int3_utils.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_multiple_unit_cell.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_multiple_unit_cell.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod cell_types.mod memory_utilities.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_multiple_unit_cell.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_multiple_unit_cell.mod' due to: topology_multiple_unit_cell.o /build/reproducible-path/cp2k-8.1/src/topology_multiple_unit_cell.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod cell_types.mod memory_utilities.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_topology_util.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_topology_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod qmmm_types_low.mod topology_types.mod molecule_kind_types.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_topology_util.F qmmm_topology_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_topology_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_topology_util.mod' due to: qmmm_topology_util.o /build/reproducible-path/cp2k-8.1/src/qmmm_topology_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod qmmm_types_low.mod topology_types.mod molecule_kind_types.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_restarts_util.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_restarts_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod input_val_types.mod kinds.mod base_hooks.mod cp_linked_list_input.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_restarts_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_restarts_util.mod' due to: input_cp2k_restarts_util.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_restarts_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod input_val_types.mod kinds.mod base_hooks.mod cp_linked_list_input.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_gromos.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_gromos.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cp_units.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod input_cp2k_restarts_util.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_gromos.F topology_gromos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_gromos.F90 +/build/reproducible-path/cp2k-8.1/src/topology_gromos.F:280:21: + + 280 | nsolute = natom + | ^ +Warning: 'natom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_gromos.mod' due to: topology_gromos.o /build/reproducible-path/cp2k-8.1/src/topology_gromos.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cp_units.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod input_cp2k_restarts_util.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_pdb.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_pdb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cell_types.mod cp_units.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod cp_log_handling.mod cp2k_info.mod input_constants.mod base_hooks.mod cp_parser_methods.mod physcon.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_pdb.F topology_pdb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_pdb.F90 +/build/reproducible-path/cp2k-8.1/src/topology_pdb.F:317:63: + + 317 | my_local=.FALSE.) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_pdb.mod' due to: topology_pdb.o /build/reproducible-path/cp2k-8.1/src/topology_pdb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cell_types.mod cp_units.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod cp_log_handling.mod cp2k_info.mod input_constants.mod base_hooks.mod cp_parser_methods.mod physcon.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_xyz.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_xyz.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cp_units.mod periodic_table.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_xyz.F topology_xyz.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_xyz.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_xyz.mod' due to: topology_xyz.o /build/reproducible-path/cp2k-8.1/src/topology_xyz.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cp_units.mod periodic_table.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'graphcon.o' due to: /build/reproducible-path/cp2k-8.1/src/graphcon.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 util.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/graphcon.F graphcon.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' graphcon.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'graphcon.mod' due to: graphcon.o /build/reproducible-path/cp2k-8.1/src/graphcon.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 util.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mm_mapping_library.o' due to: /build/reproducible-path/cp2k-8.1/src/mm_mapping_library.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mm_mapping_library.F mm_mapping_library.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mm_mapping_library.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mm_mapping_library.mod' due to: mm_mapping_library.o /build/reproducible-path/cp2k-8.1/src/mm_mapping_library.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_util.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod topology_types.mod graphcon.mod periodic_table.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod mm_mapping_library.mod util.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_util.F topology_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_util.F90 +/build/reproducible-path/cp2k-8.1/src/topology_util.F:977:61: + + 977 | upper_sym_1 = id2str(atom_info%id_element(iatom)) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_util.mod' due to: topology_util.o /build/reproducible-path/cp2k-8.1/src/topology_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod topology_types.mod graphcon.mod periodic_table.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod mm_mapping_library.mod util.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_generate_util.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_generate_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod topology_types.mod qmmm_types_low.mod particle_types.mod cp_para_types.mod fist_neighbor_list_types.mod cell_types.mod cp_log_handling.mod fist_neighbor_lists.mod util.mod cp_units.mod topology_util.mod mathlib.mod string_table.mod cp_output_handling.mod periodic_table.mod memory_utilities.mod kinds.mod base_hooks.mod string_utilities.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_generate_util.F topology_generate_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_generate_util.F90 +/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:1897:59: + + 1897 | atm_symbol = id2str(atom_info%id_element(i)) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:630:58: + + 630 | upper_sym_1 = id2str(atom_info%id_element(iatom)) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:1656:34: + + 1656 | ind = wrk(i)%array1(j) + | ^ +Warning: 'wrk.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:1656:34: Warning: 'wrk.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:1656:34: Warning: 'wrk.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:1178:22: + + 1178 | IF (do_it > 0) THEN + | ^ +Warning: 'do_it' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:764:35: + + 764 | rbond2 = rbond*rbond + | ^ +Warning: 'rbond' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/topology_generate_util.F:498:101: + + 498 | atom_info%map_mol_typ(ilast + 1), atom_info%map_mol_num(ilast + 1)) + | ^ +Warning: 'ilast' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_generate_util.mod' due to: topology_generate_util.o /build/reproducible-path/cp2k-8.1/src/topology_generate_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod topology_types.mod qmmm_types_low.mod particle_types.mod cp_para_types.mod fist_neighbor_list_types.mod cell_types.mod cp_log_handling.mod fist_neighbor_lists.mod util.mod cp_units.mod topology_util.mod mathlib.mod string_table.mod cp_output_handling.mod periodic_table.mod memory_utilities.mod kinds.mod base_hooks.mod string_utilities.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_amber.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_amber.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_types.mod cp_para_types.mod cp_parser_types.mod particle_types.mod topology_types.mod cp_units.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod cp_log_handling.mod base_hooks.mod topology_generate_util.mod input_cp2k_restarts_util.mod cp_parser_methods.mod util.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_amber.F topology_amber.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_amber.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_amber.mod' due to: topology_amber.o /build/reproducible-path/cp2k-8.1/src/topology_amber.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_types.mod cp_para_types.mod cp_parser_types.mod particle_types.mod topology_types.mod cp_units.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod cp_log_handling.mod base_hooks.mod topology_generate_util.mod input_cp2k_restarts_util.mod cp_parser_methods.mod util.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_coordinate_util.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_coordinate_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_types.mod external_potential_types.mod exclusion_types.mod qmmm_types_low.mod particle_types.mod topology_types.mod molecule_kind_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod topology_util.mod base_hooks.mod input_constants.mod physcon.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_coordinate_util.F topology_coordinate_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_coordinate_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_coordinate_util.mod' due to: topology_coordinate_util.o /build/reproducible-path/cp2k-8.1/src/topology_coordinate_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_types.mod external_potential_types.mod exclusion_types.mod qmmm_types_low.mod particle_types.mod topology_types.mod molecule_kind_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod topology_util.mod base_hooks.mod input_constants.mod physcon.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_input.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod colvar_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_input.F topology_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:34:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_input.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_input.mod' due to: topology_input.o /build/reproducible-path/cp2k-8.1/src/topology_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod colvar_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_xtl.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_xtl.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cell_types.mod cp_units.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_parser_methods.mod mathlib.mod cell_methods.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_xtl.F topology_xtl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_xtl.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_xtl.mod' due to: topology_xtl.o /build/reproducible-path/cp2k-8.1/src/topology_xtl.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cell_types.mod cp_units.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_parser_methods.mod mathlib.mod cell_methods.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_constraint_util.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_types.mod qmmm_types_low.mod particle_types.mod cell_types.mod topology_types.mod molecule_kind_types.mod colvar_types.mod memory_utilities.mod kinds.mod colvar_utils.mod cp_log_handling.mod qmmm_ff_fist.mod base_hooks.mod input_constants.mod colvar_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F topology_constraint_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_constraint_util.F90 +/build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F:752:85: + + 752 | fixd_list(kk)%restraint%k0 = cons_info%fixed_mol_k0(k1loc) + | ^ +Warning: 'k1loc' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F:101:77: + + 101 | INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & + | ^ +Warning: 'itype' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_constraint_util.mod' due to: topology_constraint_util.o /build/reproducible-path/cp2k-8.1/src/topology_constraint_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_types.mod qmmm_types_low.mod particle_types.mod cell_types.mod topology_types.mod molecule_kind_types.mod colvar_types.mod memory_utilities.mod kinds.mod colvar_utils.mod cp_log_handling.mod qmmm_ff_fist.mod base_hooks.mod input_constants.mod colvar_methods.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_cp2k.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_cp2k.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cell_types.mod cp_units.mod periodic_table.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_cp2k.F topology_cp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_cp2k.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_cp2k.mod' due to: topology_cp2k.o /build/reproducible-path/cp2k-8.1/src/topology_cp2k.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cell_types.mod cp_units.mod periodic_table.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_parser_methods.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_connectivity_util.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_connectivity_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_kind_types.mod molecule_types.mod topology_types.mod molecule_kind_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod util.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_connectivity_util.F topology_connectivity_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_connectivity_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_connectivity_util.mod' due to: topology_connectivity_util.o /build/reproducible-path/cp2k-8.1/src/topology_connectivity_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_kind_types.mod molecule_types.mod topology_types.mod molecule_kind_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod util.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_cif.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_cif.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cell_types.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod fparser.mod cp_parser_methods.mod cell_methods.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_cif.F topology_cif.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_cif.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_cif.mod' due to: topology_cif.o /build/reproducible-path/cp2k-8.1/src/topology_cif.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod cell_types.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod fparser.mod cp_parser_methods.mod cell_methods.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology_psf.o' due to: /build/reproducible-path/cp2k-8.1/src/topology_psf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod memory_utilities.mod kinds.mod string_utilities.mod qmmm_ff_fist.mod cp_log_handling.mod topology_util.mod input_constants.mod base_hooks.mod cp_parser_methods.mod force_fields_input.mod util.mod string_table.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology_psf.F topology_psf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_psf.F90 +/build/reproducible-path/cp2k-8.1/src/topology_psf.F:780:81: + + 780 | extension=".psf", my_local=.FALSE.) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology_psf.mod' due to: topology_psf.o /build/reproducible-path/cp2k-8.1/src/topology_psf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod topology_types.mod memory_utilities.mod kinds.mod string_utilities.mod qmmm_ff_fist.mod cp_log_handling.mod topology_util.mod input_constants.mod base_hooks.mod cp_parser_methods.mod force_fields_input.mod util.mod string_table.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'topology.o' due to: /build/reproducible-path/cp2k-8.1/src/topology.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod topology_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod colvar_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod cell_types.mod topology_multiple_unit_cell.mod cp_log_handling.mod qmmm_topology_util.mod topology_gromos.mod topology_pdb.mod topology_xyz.mod topology_amber.mod topology_util.mod topology_coordinate_util.mod topology_generate_util.mod topology_input.mod topology_xtl.mod string_table.mod cp_output_handling.mod topology_constraint_util.mod topology_cp2k.mod kinds.mod colvar_utils.mod base_hooks.mod atoms_input.mod input_cp2k_binary_restarts.mod topology_connectivity_util.mod topology_cif.mod input_constants.mod mm_mapping_library.mod cell_methods.mod topology_psf.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/topology.F topology.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'topology.mod' due to: topology.o /build/reproducible-path/cp2k-8.1/src/topology.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod topology_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod colvar_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod cell_types.mod topology_multiple_unit_cell.mod cp_log_handling.mod qmmm_topology_util.mod topology_gromos.mod topology_pdb.mod topology_xyz.mod topology_amber.mod topology_util.mod topology_coordinate_util.mod topology_generate_util.mod topology_input.mod topology_xtl.mod string_table.mod cp_output_handling.mod topology_constraint_util.mod topology_cp2k.mod kinds.mod colvar_utils.mod base_hooks.mod atoms_input.mod input_cp2k_binary_restarts.mod topology_connectivity_util.mod topology_cif.mod input_constants.mod mm_mapping_library.mod cell_methods.mod topology_psf.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_subsys_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/cp_subsys_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod topology_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod atprop_types.mod cp_result_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod atomic_kind_list_types.mod virial_types.mod molecule_list_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod colvar_methods.mod topology.mod topology_util.mod topology_coordinate_util.mod string_table.mod cp_para_env.mod kinds.mod base_hooks.mod topology_connectivity_util.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp_subsys_methods.F cp_subsys_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_subsys_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_subsys_methods.mod' due to: cp_subsys_methods.o /build/reproducible-path/cp2k-8.1/src/cp_subsys_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod topology_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod atprop_types.mod cp_result_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod atomic_kind_list_types.mod virial_types.mod molecule_list_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod colvar_methods.mod topology.mod topology_util.mod topology_coordinate_util.mod string_table.mod cp_para_env.mod kinds.mod base_hooks.mod topology_connectivity_util.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_subsys_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_subsys_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod atomic_kind_types.mod atom_types.mod external_potential_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod kinds.mod base_hooks.mod cp_subsys_methods.mod cell_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_subsys_methods.F qs_subsys_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_subsys_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_subsys_methods.mod' due to: qs_subsys_methods.o /build/reproducible-path/cp2k-8.1/src/qs_subsys_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod atomic_kind_types.mod atom_types.mod external_potential_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod kinds.mod base_hooks.mod cp_subsys_methods.mod cell_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_spin_orbit.mod' due to: ai_spin_orbit.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_spin_orbit.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_spin_orbit.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod block_p_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod kinds.mod cp_log_handling.mod base_hooks.mod ai_spin_orbit.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_spin_orbit.F qs_spin_orbit.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_spin_orbit.F90 +/build/reproducible-path/cp2k-8.1/src/qs_spin_orbit.F:195:13: + + 195 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_spin_orbit.mod' due to: qs_spin_orbit.o /build/reproducible-path/cp2k-8.1/src/qs_spin_orbit.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod block_p_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod kinds.mod cp_log_handling.mod base_hooks.mod ai_spin_orbit.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_elec_field.mod' due to: ai_elec_field.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_elec_field.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_elec_field.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod block_p_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_elec_field.mod kinds.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_elec_field.F qs_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_elec_field.F90 +/build/reproducible-path/cp2k-8.1/src/qs_elec_field.F:198:13: + + 198 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_elec_field.mod' due to: qs_elec_field.o /build/reproducible-path/cp2k-8.1/src/qs_elec_field.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod block_p_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_elec_field.mod kinds.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_fermi_contact.mod' due to: ai_fermi_contact.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fermi_contact.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fermi_contact.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod block_p_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_fermi_contact.mod kinds.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fermi_contact.F qs_fermi_contact.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fermi_contact.F90 +/build/reproducible-path/cp2k-8.1/src/qs_fermi_contact.F:195:13: + + 195 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fermi_contact.mod' due to: qs_fermi_contact.o /build/reproducible-path/cp2k-8.1/src/qs_fermi_contact.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod block_p_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_fermi_contact.mod kinds.mod cp_log_handling.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_op.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_op.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_linres_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_moments.mod qs_spin_orbit.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod particle_methods.mod cp_output_handling.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_elec_field.mod base_hooks.mod cp_cfm_basic_linalg.mod cp_dbcsr_operations.mod qs_operators_ao.mod qs_fermi_contact.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_op.F qs_linres_op.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_op.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_op.mod' due to: qs_linres_op.o /build/reproducible-path/cp2k-8.1/src/qs_linres_op.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_linres_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_moments.mod qs_spin_orbit.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod particle_methods.mod cp_output_handling.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_elec_field.mod base_hooks.mod cp_cfm_basic_linalg.mod cp_dbcsr_operations.mod qs_operators_ao.mod qs_fermi_contact.mod cp_array_utils.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_atom_current.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_atom_current.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod particle_types.mod sap_kind_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod qs_oce_types.mod paw_proj_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_oce_methods.mod cp_log_handling.mod qs_linres_op.mod message_passing.mod util.mod qs_grid_atom.mod orbital_pointers.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_atom_current.F qs_linres_atom_current.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_atom_current.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_atom_current.mod' due to: qs_linres_atom_current.o /build/reproducible-path/cp2k-8.1/src/qs_linres_atom_current.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod particle_types.mod sap_kind_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod qs_oce_types.mod paw_proj_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_oce_methods.mod cp_log_handling.mod qs_linres_op.mod message_passing.mod util.mod qs_grid_atom.mod orbital_pointers.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_current.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_current.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_linres_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_subsys_types.mod qs_neighbor_list_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_linres_op.mod rs_pw_interface.mod ao_util.mod grid_api.mod task_list_methods.mod cp_dbcsr_cp2k_link.mod cp_realspace_grid_cube.mod pw_methods.mod orbital_pointers.mod particle_methods.mod cp_output_handling.mod mathconstants.mod cube_utils.mod memory_utilities.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_matrix_pools.mod cp_dbcsr_operations.mod gaussian_gridlevels.mod input_constants.mod cp_array_utils.mod qs_operators_ao.mod qs_linres_atom_current.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_current.F qs_linres_current.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:35:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_current.F90 +/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1289:37: + + 1289 | END FUNCTION encode_ardbmdarb_func + | ^ +Warning: 'func' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1262:56: + + 1262 | FUNCTION encode_ardbmdarb_func(idir, ir) RESULT(func) + | ^ +note: 'func' was declared here +/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1450:56: + + 1450 | TYPE(box_type), DIMENSION(:, :, :), POINTER :: box + | ^ +Warning: 'MEM[(struct array03_box_type &)&box].dim[2].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: 'MEM[(struct array03_box_type &)&box].dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: 'MEM[(struct array03_box_type &)&box].dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: 'MEM[(struct array03_box_type &)&box].dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: 'MEM[(struct array03_box_type &)&box].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_current.mod' due to: qs_linres_current.o /build/reproducible-path/cp2k-8.1/src/qs_linres_current.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_linres_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_subsys_types.mod qs_neighbor_list_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_linres_op.mod rs_pw_interface.mod ao_util.mod grid_api.mod task_list_methods.mod cp_dbcsr_cp2k_link.mod cp_realspace_grid_cube.mod pw_methods.mod orbital_pointers.mod particle_methods.mod cp_output_handling.mod mathconstants.mod cube_utils.mod memory_utilities.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_matrix_pools.mod cp_dbcsr_operations.mod gaussian_gridlevels.mod input_constants.mod cp_array_utils.mod qs_operators_ao.mod qs_linres_atom_current.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'transport.o' due to: /build/reproducible-path/cp2k-8.1/src/transport.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod transport_env_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_dbcsr_cp2k_link.mod cp_realspace_grid_cube.mod bibliography.mod pw_methods.mod particle_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod qs_linres_current.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/transport.F transport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' transport.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'transport.mod' due to: transport.o /build/reproducible-path/cp2k-8.1/src/transport.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod transport_env_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_dbcsr_cp2k_link.mod cp_realspace_grid_cube.mod bibliography.mod pw_methods.mod particle_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod qs_linres_current.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_force_types.mod qs_subsys_types.mod external_potential_types.mod rel_control_types.mod particle_types.mod semi_empirical_mpole_types.mod mp2_types.mod cell_types.mod ewald_environment_types.mod qs_mo_types.mod multipole_types.mod ec_env_types.mod cp_ddapc_types.mod basis_set_types.mod qs_energy_types.mod et_coupling_types.mod xtb_types.mod qs_rho_atom_types.mod qs_dftb_types.mod fist_nonbond_env_types.mod hfx_types.mod ewald_pw_types.mod qs_kind_types.mod qs_dispersion_types.mod semi_empirical_store_int_types.mod cp_control_types.mod molecule_kind_types.mod kpoint_types.mod global_types.mod qs_wf_history_types.mod semi_empirical_types.mod lri_environment_types.mod qs_local_rho_types.mod atomic_kind_types.mod distribution_1d_types.mod basis_set_container_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qmmm_types_low.mod qs_gcp_types.mod qs_rho0_types.mod input_section_types.mod molecule_types.mod scf_control_types.mod cp_subsys_types.mod cp_para_types.mod qs_rho0_ggrid.mod kg_environment.mod qs_subsys_methods.mod orbital_pointers.mod atom_kind_orbitals.mod cp_output_handling.mod base_hooks.mod qs_wf_history_methods.mod almo_scf_env_methods.mod cp_para_env.mod cp_log_handling.mod input_constants.mod kinds.mod semi_empirical_mpole_methods.mod ec_environment.mod cp_symmetry.mod xtb_parameters.mod gamma.mod qs_rho_atom_methods.mod qs_rho0_methods.mod transport.mod semi_empirical_int_arrays.mod auto_basis.mod distribution_methods.mod semi_empirical_expns3_methods.mod machine.mod qs_dispersion_pairpot.mod qs_interactions.mod qs_dispersion_utils.mod header.mod mp2_setup.mod qs_environment_methods.mod qs_dispersion_nonloc.mod cp_blacs_env.mod orbital_transformation_matrices.mod cp_control_utils.mod ewald_pw_methods.mod bibliography.mod semi_empirical_utils.mod lri_environment_init.mod mathconstants.mod qs_gcp_utils.mod hartree_local_methods.mod qs_dftb_parameters.mod particle_methods.mod kpoint_methods.mod dm_ls_scf_create.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 et_coupling_types.mod qs_gcp_types.mod particle_types.mod hfx_types.mod molecule_types.mod qs_kind_types.mod qs_ks_types.mod distribution_1d_types.mod qs_local_rho_types.mod cp_subsys_types.mod qs_environment_types.mod atomic_kind_types.mod kpoint_types.mod fist_nonbond_env_types.mod semi_empirical_store_int_types.mod cp_ddapc_types.mod qmmm_types_low.mod semi_empirical_types.mod qs_force_types.mod ewald_pw_types.mod qs_subsys_types.mod qs_rho_atom_types.mod xtb_types.mod cp_control_types.mod lri_environment_types.mod scf_control_types.mod mp2_types.mod input_section_types.mod qs_dispersion_types.mod qs_mo_types.mod rel_control_types.mod cp_para_types.mod qs_wf_history_types.mod basis_set_types.mod multipole_types.mod global_types.mod semi_empirical_mpole_types.mod ec_env_types.mod external_potential_types.mod ewald_environment_types.mod pw_env_types.mod molecule_kind_types.mod qs_energy_types.mod basis_set_container_types.mod qs_rho0_types.mod cell_types.mod qs_dftb_types.mod header.mod cp_log_handling.mod qs_environment_methods.mod qs_dispersion_utils.mod dm_ls_scf_create.mod bibliography.mod atom_kind_orbitals.mod base_hooks.mod semi_empirical_int_arrays.mod orbital_transformation_matrices.mod semi_empirical_mpole_methods.mod qs_rho0_ggrid.mod qs_dispersion_pairpot.mod lri_environment_init.mod qs_rho_atom_methods.mod qs_rho0_methods.mod cp_symmetry.mod ewald_pw_methods.mod orbital_pointers.mod particle_methods.mod cp_output_handling.mod mathconstants.mod kinds.mod ec_environment.mod mp2_setup.mod qs_dispersion_nonloc.mod kg_environment.mod qs_interactions.mod hartree_local_methods.mod xtb_parameters.mod semi_empirical_utils.mod distribution_methods.mod cp_blacs_env.mod cp_para_env.mod cp_control_utils.mod qs_dftb_parameters.mod qs_gcp_utils.mod almo_scf_env_methods.mod kpoint_methods.mod machine.mod qs_wf_history_methods.mod semi_empirical_expns3_methods.mod auto_basis.mod gamma.mod input_constants.mod qs_subsys_methods.mod transport.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_environment.F qs_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_environment.F90 /build/reproducible-path/cp2k-8.1/src/qs_environment.F:1197:87: 1197 | dispersion_env%parameter_file_name = dftb_control%dispersion_parameter_file @@ -44243,372 +44320,450 @@ 526 | TYPE(dftb_control_type), POINTER :: dftb_control | ^ note: 'dftb_control' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_environment.mod' due to: qs_environment.o /build/reproducible-path/cp2k-8.1/src/qs_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_force_types.mod qs_subsys_types.mod external_potential_types.mod rel_control_types.mod particle_types.mod semi_empirical_mpole_types.mod mp2_types.mod cell_types.mod ewald_environment_types.mod qs_mo_types.mod multipole_types.mod ec_env_types.mod cp_ddapc_types.mod basis_set_types.mod qs_energy_types.mod et_coupling_types.mod xtb_types.mod qs_rho_atom_types.mod qs_dftb_types.mod fist_nonbond_env_types.mod hfx_types.mod ewald_pw_types.mod qs_kind_types.mod qs_dispersion_types.mod semi_empirical_store_int_types.mod cp_control_types.mod molecule_kind_types.mod kpoint_types.mod global_types.mod qs_wf_history_types.mod semi_empirical_types.mod lri_environment_types.mod qs_local_rho_types.mod atomic_kind_types.mod distribution_1d_types.mod basis_set_container_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qmmm_types_low.mod qs_gcp_types.mod qs_rho0_types.mod input_section_types.mod molecule_types.mod scf_control_types.mod cp_subsys_types.mod cp_para_types.mod qs_rho0_ggrid.mod kg_environment.mod qs_subsys_methods.mod orbital_pointers.mod atom_kind_orbitals.mod cp_output_handling.mod base_hooks.mod qs_wf_history_methods.mod almo_scf_env_methods.mod cp_para_env.mod cp_log_handling.mod input_constants.mod kinds.mod semi_empirical_mpole_methods.mod ec_environment.mod cp_symmetry.mod xtb_parameters.mod gamma.mod qs_rho_atom_methods.mod qs_rho0_methods.mod transport.mod semi_empirical_int_arrays.mod auto_basis.mod distribution_methods.mod semi_empirical_expns3_methods.mod machine.mod qs_dispersion_pairpot.mod qs_interactions.mod qs_dispersion_utils.mod header.mod mp2_setup.mod qs_environment_methods.mod qs_dispersion_nonloc.mod cp_blacs_env.mod orbital_transformation_matrices.mod cp_control_utils.mod ewald_pw_methods.mod bibliography.mod semi_empirical_utils.mod lri_environment_init.mod mathconstants.mod qs_gcp_utils.mod hartree_local_methods.mod qs_dftb_parameters.mod particle_methods.mod kpoint_methods.mod dm_ls_scf_create.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_environment.mod' due to: qs_environment.o /build/reproducible-path/cp2k-8.1/src/qs_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 et_coupling_types.mod qs_gcp_types.mod particle_types.mod hfx_types.mod molecule_types.mod qs_kind_types.mod qs_ks_types.mod distribution_1d_types.mod qs_local_rho_types.mod cp_subsys_types.mod qs_environment_types.mod atomic_kind_types.mod kpoint_types.mod fist_nonbond_env_types.mod semi_empirical_store_int_types.mod cp_ddapc_types.mod qmmm_types_low.mod semi_empirical_types.mod qs_force_types.mod ewald_pw_types.mod qs_subsys_types.mod qs_rho_atom_types.mod xtb_types.mod cp_control_types.mod lri_environment_types.mod scf_control_types.mod mp2_types.mod input_section_types.mod qs_dispersion_types.mod qs_mo_types.mod rel_control_types.mod cp_para_types.mod qs_wf_history_types.mod basis_set_types.mod multipole_types.mod global_types.mod semi_empirical_mpole_types.mod ec_env_types.mod external_potential_types.mod ewald_environment_types.mod pw_env_types.mod molecule_kind_types.mod qs_energy_types.mod basis_set_container_types.mod qs_rho0_types.mod cell_types.mod qs_dftb_types.mod header.mod cp_log_handling.mod qs_environment_methods.mod qs_dispersion_utils.mod dm_ls_scf_create.mod bibliography.mod atom_kind_orbitals.mod base_hooks.mod semi_empirical_int_arrays.mod orbital_transformation_matrices.mod semi_empirical_mpole_methods.mod qs_rho0_ggrid.mod qs_dispersion_pairpot.mod lri_environment_init.mod qs_rho_atom_methods.mod qs_rho0_methods.mod cp_symmetry.mod ewald_pw_methods.mod orbital_pointers.mod particle_methods.mod cp_output_handling.mod mathconstants.mod kinds.mod ec_environment.mod mp2_setup.mod qs_dispersion_nonloc.mod kg_environment.mod qs_interactions.mod hartree_local_methods.mod xtb_parameters.mod semi_empirical_utils.mod distribution_methods.mod cp_blacs_env.mod cp_para_env.mod cp_control_utils.mod qs_dftb_parameters.mod qs_gcp_utils.mod almo_scf_env_methods.mod kpoint_methods.mod machine.mod qs_wf_history_methods.mod semi_empirical_expns3_methods.mod auto_basis.mod gamma.mod input_constants.mod qs_subsys_methods.mod transport.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_links_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_links_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_types_low.mod particle_types.mod kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_links_methods.F qmmm_links_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_links_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_links_methods.mod' due to: qmmm_links_methods.o /build/reproducible-path/cp2k-8.1/src/qmmm_links_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qmmm_types_low.mod particle_types.mod kinds.mod cp_log_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_data.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_data.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_data.F qmmm_gaussian_data.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_data.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_data.mod' due to: qmmm_gaussian_data.o /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_data.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_input.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_gaussian_types.mod cp_para_types.mod cp_parser_types.mod mathconstants.mod kinds.mod string_utilities.mod cp_log_handling.mod qmmm_gaussian_data.mod base_hooks.mod cp_parser_methods.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_input.F90 +/build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F:1079:101: + + 1079 | qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:)*rc + | ^ +Warning: 'rc' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F:654:101: + + 654 | qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:)*rc + | ^ +Warning: 'rc' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_input.mod' due to: qmmm_gaussian_input.o /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_gaussian_types.mod cp_para_types.mod cp_parser_types.mod mathconstants.mod kinds.mod string_utilities.mod cp_log_handling.mod qmmm_gaussian_data.mod base_hooks.mod cp_parser_methods.mod physcon.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_init.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_gaussian_types.mod cp_para_types.mod pw_pool_types.mod pw_env_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod qmmm_gaussian_data.mod gaussian_gridlevels.mod ao_util.mod input_constants.mod base_hooks.mod qmmm_gaussian_input.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_init.F qmmm_gaussian_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_init.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_init.mod' due to: qmmm_gaussian_init.o /build/reproducible-path/cp2k-8.1/src/qmmm_gaussian_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_gaussian_types.mod cp_para_types.mod pw_pool_types.mod pw_env_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod qmmm_gaussian_data.mod gaussian_gridlevels.mod ao_util.mod input_constants.mod base_hooks.mod qmmm_gaussian_input.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_elpot.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_elpot.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_gaussian_types.mod qmmm_types_low.mod cell_types.mod mathconstants.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_elpot.F qmmm_elpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_elpot.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_elpot.mod' due to: qmmm_elpot.o /build/reproducible-path/cp2k-8.1/src/qmmm_elpot.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_gaussian_types.mod qmmm_types_low.mod cell_types.mod mathconstants.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_per_elpot.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_per_elpot.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_gaussian_types.mod qmmm_types_low.mod cp_para_types.mod ewald_pw_types.mod pw_poisson_types.mod cell_types.mod ewald_environment_types.mod ewald_spline_util.mod mathconstants.mod kinds.mod cp_log_handling.mod ao_util.mod input_constants.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_per_elpot.F qmmm_per_elpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_per_elpot.F90 +/build/reproducible-path/cp2k-8.1/src/qmmm_per_elpot.F:187:54: + + 187 | LG(idim) = fs*LG(idim)*1.0_dp/Vol + | ^ +Warning: 'fs' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_per_elpot.mod' due to: qmmm_per_elpot.o /build/reproducible-path/cp2k-8.1/src/qmmm_per_elpot.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_gaussian_types.mod qmmm_types_low.mod cp_para_types.mod ewald_pw_types.mod pw_poisson_types.mod cell_types.mod ewald_environment_types.mod ewald_spline_util.mod mathconstants.mod kinds.mod cp_log_handling.mod ao_util.mod input_constants.mod base_hooks.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_create.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_create.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod fist_environment_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod cell_types.mod global_types.mod cp_subsys_types.mod qmmm_types.mod cp_para_types.mod fist_nonbond_env_types.mod kinds.mod fist_environment.mod cp_subsys_methods.mod qmmm_init.mod bibliography.mod cp_output_handling.mod qmmm_links_methods.mod base_hooks.mod cp_log_handling.mod header.mod qmmm_pw_grid.mod cell_methods.mod input_constants.mod qs_environment.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_init.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod force_field_types.mod qmmm_types_low.mod particle_types.mod pw_env_types.mod molecule_kind_types.mod shell_potential_types.mod cp_para_types.mod atomic_kind_list_types.mod pair_potential_types.mod qs_environment_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod qmmm_gaussian_init.mod cp_eri_mme_interface.mod cp_units.mod qmmm_elpot.mod force_fields_input.mod cp_output_handling.mod kinds.mod qmmm_per_elpot.mod qmmm_ff_fist.mod base_hooks.mod input_constants.mod cell_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_init.F qmmm_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_init.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_init.mod' due to: qmmm_init.o /build/reproducible-path/cp2k-8.1/src/qmmm_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod force_field_types.mod qmmm_types_low.mod particle_types.mod pw_env_types.mod molecule_kind_types.mod shell_potential_types.mod cp_para_types.mod atomic_kind_list_types.mod pair_potential_types.mod qs_environment_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod qmmm_gaussian_init.mod cp_eri_mme_interface.mod cp_units.mod qmmm_elpot.mod force_fields_input.mod cp_output_handling.mod kinds.mod qmmm_per_elpot.mod qmmm_ff_fist.mod base_hooks.mod input_constants.mod cell_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_fields_ext.o' due to: /build/reproducible-path/cp2k-8.1/src/force_fields_ext.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_types.mod force_field_kind_types.mod cp_para_types.mod cp_parser_types.mod particle_types.mod cp_units.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod topology_amber.mod base_hooks.mod cp_parser_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_fields_ext.F force_fields_ext.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_fields_ext.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_fields_ext.mod' due to: force_fields_ext.o /build/reproducible-path/cp2k-8.1/src/force_fields_ext.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_types.mod force_field_kind_types.mod cp_para_types.mod cp_parser_types.mod particle_types.mod cp_units.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod topology_amber.mod base_hooks.mod cp_parser_methods.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_fields.o' due to: /build/reproducible-path/cp2k-8.1/src/force_fields.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod force_field_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod force_field_kind_types.mod molecule_types.mod cp_para_types.mod cell_types.mod cp_log_handling.mod force_fields_util.mod cp_units.mod force_fields_input.mod cp_output_handling.mod kinds.mod base_hooks.mod force_fields_ext.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_fields.F force_fields.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_fields.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_fields.mod' due to: force_fields.o /build/reproducible-path/cp2k-8.1/src/force_fields.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod force_field_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod force_field_kind_types.mod molecule_types.mod cp_para_types.mod cell_types.mod cp_log_handling.mod force_fields_util.mod cp_units.mod force_fields_input.mod cp_output_handling.mod kinds.mod base_hooks.mod force_fields_ext.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_environment_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod ewald_pw_types.mod fist_efield_types.mod fist_energy_types.mod distribution_1d_types.mod particle_list_types.mod multipole_types.mod cell_types.mod cp_subsys_types.mod header.mod cp_log_handling.mod cp_symmetry.mod ewald_pw_methods.mod force_fields.mod distribution_methods.mod cp_subsys_methods.mod bibliography.mod particle_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod cell_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_environment.F fist_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_environment.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_environment.mod' due to: fist_environment.o /build/reproducible-path/cp2k-8.1/src/fist_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_environment_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod qmmm_types_low.mod particle_types.mod molecule_kind_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod ewald_pw_types.mod fist_efield_types.mod fist_energy_types.mod distribution_1d_types.mod particle_list_types.mod multipole_types.mod cell_types.mod cp_subsys_types.mod header.mod cp_log_handling.mod cp_symmetry.mod ewald_pw_methods.mod force_fields.mod distribution_methods.mod cp_subsys_methods.mod bibliography.mod particle_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod cell_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_create.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_create.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_environment_types.mod fist_nonbond_env_types.mod qmmm_types.mod qmmm_types_low.mod pw_env_types.mod qs_environment_types.mod cp_para_types.mod global_types.mod cell_types.mod cp_subsys_types.mod header.mod cp_log_handling.mod qmmm_pw_grid.mod qs_environment.mod cp_subsys_methods.mod qmmm_links_methods.mod bibliography.mod cp_output_handling.mod qmmm_init.mod kinds.mod base_hooks.mod fist_environment.mod input_constants.mod cell_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_create.F qmmm_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_create.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_create.mod' due to: qmmm_create.o /build/reproducible-path/cp2k-8.1/src/qmmm_create.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod fist_environment_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod cell_types.mod global_types.mod cp_subsys_types.mod qmmm_types.mod cp_para_types.mod fist_nonbond_env_types.mod kinds.mod fist_environment.mod cp_subsys_methods.mod qmmm_init.mod bibliography.mod cp_output_handling.mod qmmm_links_methods.mod base_hooks.mod cp_log_handling.mod header.mod qmmm_pw_grid.mod cell_methods.mod input_constants.mod qs_environment.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_create.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_create.mod' due to: qmmm_create.o /build/reproducible-path/cp2k-8.1/src/qmmm_create.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_environment_types.mod fist_nonbond_env_types.mod qmmm_types.mod qmmm_types_low.mod pw_env_types.mod qs_environment_types.mod cp_para_types.mod global_types.mod cell_types.mod cp_subsys_types.mod header.mod cp_log_handling.mod qmmm_pw_grid.mod qs_environment.mod cp_subsys_methods.mod qmmm_links_methods.mod bibliography.mod cp_output_handling.mod qmmm_init.mod kinds.mod base_hooks.mod fist_environment.mod input_constants.mod cell_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmmx_create.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmmx_create.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod qmmm_types.mod qmmmx_types.mod cp_para_types.mod global_types.mod qmmmx_util.mod qmmm_create.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmmx_create.F qmmmx_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmmx_create.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmmx_create.mod' due to: qmmmx_create.o /build/reproducible-path/cp2k-8.1/src/qmmmx_create.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod qmmm_types.mod qmmmx_types.mod cp_para_types.mod global_types.mod qmmmx_util.mod qmmm_create.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_util.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_kind_types.mod fist_environment_types.mod particle_types.mod force_env_types.mod cell_types.mod qmmm_types.mod cp_subsys_types.mod qs_environment_types.mod qs_energy_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod particle_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_util.F qmmm_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_util.mod' due to: qmmm_util.o /build/reproducible-path/cp2k-8.1/src/qmmm_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_kind_types.mod fist_environment_types.mod particle_types.mod force_env_types.mod cell_types.mod qmmm_types.mod cp_subsys_types.mod qs_environment_types.mod qs_energy_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod particle_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'sirius_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/sirius_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod external_potential_types.mod qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod atom_types.mod cp_para_types.mod pwdft_environment_types.mod kinds.mod atom_kind_orbitals.mod cp_output_handling.mod base_hooks.mod mathconstants.mod cp_log_handling.mod input_constants.mod atom_upf.mod atom_utils.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/sirius_interface.F sirius_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' sirius_interface.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'sirius_interface.mod' due to: sirius_interface.o /build/reproducible-path/cp2k-8.1/src/sirius_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod external_potential_types.mod qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod atom_types.mod cp_para_types.mod pwdft_environment_types.mod kinds.mod atom_kind_orbitals.mod cp_output_handling.mod base_hooks.mod mathconstants.mod cp_log_handling.mod input_constants.mod atom_upf.mod atom_utils.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmmx_util.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmmx_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qmmm_types.mod qmmm_types_low.mod particle_types.mod qmmmx_types.mod molecule_types.mod cp_para_types.mod fist_neighbor_list_types.mod molecule_list_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod fist_neighbor_lists.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod qmmm_util.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmmx_util.F qmmmx_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmmx_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmmx_util.mod' due to: qmmmx_util.o /build/reproducible-path/cp2k-8.1/src/qmmmx_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qmmm_types.mod qmmm_types_low.mod particle_types.mod qmmmx_types.mod molecule_types.mod cp_para_types.mod fist_neighbor_list_types.mod molecule_list_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod fist_neighbor_lists.mod memory_utilities.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod qmmm_util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pwdft_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/pwdft_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_subsys_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod molecule_types.mod virial_types.mod cp_para_types.mod pwdft_environment_types.mod kinds.mod qs_subsys_methods.mod distribution_methods.mod base_hooks.mod machine.mod particle_methods.mod cp_log_handling.mod header.mod cp_symmetry.mod sirius_interface.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pwdft_environment.F pwdft_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pwdft_environment.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pwdft_environment.mod' due to: pwdft_environment.o /build/reproducible-path/cp2k-8.1/src/pwdft_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_subsys_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod molecule_types.mod virial_types.mod cp_para_types.mod pwdft_environment_types.mod kinds.mod qs_subsys_methods.mod distribution_methods.mod base_hooks.mod machine.mod particle_methods.mod cp_log_handling.mod header.mod cp_symmetry.mod sirius_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_restart_rng.o' due to: /build/reproducible-path/cp2k-8.1/src/input_restart_rng.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod input_val_types.mod string_utilities.mod base_hooks.mod cp_linked_list_input.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_restart_rng.F input_restart_rng.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_restart_rng.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_restart_rng.mod' due to: input_restart_rng.o /build/reproducible-path/cp2k-8.1/src/input_restart_rng.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod input_val_types.mod string_utilities.mod base_hooks.mod cp_linked_list_input.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_error_handling.mod' due to: cp_error_handling.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_restart_force_eval.o' due to: /build/reproducible-path/cp2k-8.1/src/input_restart_force_eval.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod eip_environment_types.mod parallel_rng_types.mod nnp_environment_types.mod molecule_kind_types.mod input_val_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod virial_types.mod distribution_1d_types.mod cp_control_types.mod molecule_list_types.mod particle_list_types.mod multipole_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod message_passing.mod cp_units.mod cp_linked_list_input.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod input_restart_rng.mod cp_files.mod string_utilities.mod input_constants.mod input_cp2k_restarts_util.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_restart_force_eval.F input_restart_force_eval.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_restart_force_eval.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_restart_force_eval.mod' due to: input_restart_force_eval.o /build/reproducible-path/cp2k-8.1/src/input_restart_force_eval.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod eip_environment_types.mod parallel_rng_types.mod nnp_environment_types.mod molecule_kind_types.mod input_val_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod virial_types.mod distribution_1d_types.mod cp_control_types.mod molecule_list_types.mod particle_list_types.mod multipole_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod message_passing.mod cp_units.mod cp_linked_list_input.mod kinds.mod qmmm_ff_fist.mod base_hooks.mod input_restart_rng.mod cp_files.mod string_utilities.mod input_constants.mod input_cp2k_restarts_util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'embed_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/embed_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod molecule_types.mod embed_types.mod kinds.mod base_hooks.mod cell_methods.mod distribution_methods.mod cp_subsys_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/embed_environment.F embed_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' embed_environment.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'embed_environment.mod' due to: embed_environment.o /build/reproducible-path/cp2k-8.1/src/embed_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod molecule_types.mod embed_types.mod kinds.mod base_hooks.mod cell_methods.mod distribution_methods.mod cp_subsys_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmmx_update.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmmx_update.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_list_types.mod qmmmx_types.mod force_env_types.mod qmmm_types.mod cp_subsys_types.mod distribution_1d_types.mod qmmm_create.mod qmmmx_util.mod base_hooks.mod input_restart_force_eval.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmmx_update.F qmmmx_update.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmmx_update.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmmx_update.mod' due to: qmmmx_update.o /build/reproducible-path/cp2k-8.1/src/qmmmx_update.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_list_types.mod qmmmx_types.mod force_env_types.mod qmmm_types.mod cp_subsys_types.mod distribution_1d_types.mod qmmm_create.mod qmmmx_util.mod base_hooks.mod input_restart_force_eval.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'embed_main.o' due to: /build/reproducible-path/cp2k-8.1/src/embed_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod embed_types.mod kinds.mod cp_files.mod cp_para_env.mod message_passing.mod cp_output_handling.mod embed_environment.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/embed_main.F embed_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' embed_main.F90 -/build/reproducible-path/cp2k-8.1/src/embed_main.F:168:68: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'external_potential_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/external_potential_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod force_env_types.mod cp_subsys_types.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod force_fields_util.mod base_hooks.mod fparser.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/external_potential_methods.F external_potential_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' external_potential_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'external_potential_methods.mod' due to: external_potential_methods.o /build/reproducible-path/cp2k-8.1/src/external_potential_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod force_env_types.mod cp_subsys_types.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod force_fields_util.mod base_hooks.mod fparser.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_dmfet_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_dmfet_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_control_types.mod cp_para_types.mod embed_types.mod qs_environment_types.mod qs_mo_types.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_dmfet_potential.F optimize_dmfet_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_dmfet_potential.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_dmfet_potential.mod' due to: optimize_dmfet_potential.o /build/reproducible-path/cp2k-8.1/src/optimize_dmfet_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_control_types.mod cp_para_types.mod embed_types.mod qs_environment_types.mod qs_mo_types.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_blacs_env.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_embedding_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod embed_types.mod xc_rho_set_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod xc_rho_cflags_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod particle_list_types.mod force_env_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_integrate_potential_single.mod cp_fm_basic_linalg.mod cp_log_handling.mod xc.mod message_passing.mod pw_poisson_methods.mod cp_realspace_grid_cube.mod pw_methods.mod cp_blacs_env.mod cp_output_handling.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod mixed_environment_utils.mod cp_files.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_kinetic.mod input_constants.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F optimize_embedding_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_embedding_potential.F90 +/build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F:1977:32: - 168 | embed_env%sub_logger(i)%p%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'embed_main.mod' due to: embed_main.o /build/reproducible-path/cp2k-8.1/src/embed_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod embed_types.mod kinds.mod cp_files.mod cp_para_env.mod message_passing.mod cp_output_handling.mod embed_environment.mod cp_log_handling.mod base_hooks.mod + 1977 | SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) + | ^ +Warning: 'inv_hessian_update' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F:2085:28: + + 2085 | SUBROUTINE Hessian_update(grad, prev_grad, step, prev_Hess, Hess) + | ^ +Warning: 'hessian_update' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F:3430:40: + + 3430 | CALL pw_release(pot_beta%pw) + | ^ +Warning: 'pot_beta' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_embedding_potential.mod' due to: optimize_embedding_potential.o /build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod embed_types.mod xc_rho_set_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod xc_rho_cflags_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod particle_list_types.mod force_env_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_integrate_potential_single.mod cp_fm_basic_linalg.mod cp_log_handling.mod xc.mod message_passing.mod pw_poisson_methods.mod cp_realspace_grid_cube.mod pw_methods.mod cp_blacs_env.mod cp_output_handling.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod mixed_environment_utils.mod cp_files.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_kinetic.mod input_constants.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'scine_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/scine_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_environment_types.mod particle_types.mod force_env_types.mod cell_types.mod qs_energy_types.mod kinds.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/scine_utils.F scine_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' scine_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'scine_utils.mod' due to: scine_utils.o /build/reproducible-path/cp2k-8.1/src/scine_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_environment_types.mod particle_types.mod force_env_types.mod cell_types.mod qs_energy_types.mod kinds.mod base_hooks.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'nnp_model.o' due to: /build/reproducible-path/cp2k-8.1/src/nnp_model.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 nnp_environment_types.mod cp_para_types.mod kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'nnp_model.o' due to: /build/reproducible-path/cp2k-8.1/src/nnp_model.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod nnp_environment_types.mod kinds.mod cp_log_handling.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/nnp_model.F nnp_model.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' nnp_model.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' nnp_model.F90 /build/reproducible-path/cp2k-8.1/src/nnp_model.F:186:94: 186 | arc%layer(i)%node_grad(j) = -1.0_dp*arc%layer(i)%node(j)*arc%layer(i)%node_grad(j) | ^ Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'nnp_model.mod' due to: nnp_model.o /build/reproducible-path/cp2k-8.1/src/nnp_model.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 nnp_environment_types.mod cp_para_types.mod kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'nnp_model.mod' due to: nnp_model.o /build/reproducible-path/cp2k-8.1/src/nnp_model.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod nnp_environment_types.mod kinds.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'nnp_acsf.o' due to: /build/reproducible-path/cp2k-8.1/src/nnp_acsf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 nnp_environment_types.mod cp_para_types.mod cell_types.mod kinds.mod cp_log_handling.mod periodic_table.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'nnp_acsf.o' due to: /build/reproducible-path/cp2k-8.1/src/nnp_acsf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod nnp_environment_types.mod cell_types.mod mathconstants.mod periodic_table.mod kinds.mod cp_log_handling.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/nnp_acsf.F nnp_acsf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' nnp_acsf.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'nnp_acsf.mod' due to: nnp_acsf.o /build/reproducible-path/cp2k-8.1/src/nnp_acsf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 nnp_environment_types.mod cp_para_types.mod cell_types.mod kinds.mod cp_log_handling.mod periodic_table.mod base_hooks.mod mathconstants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' nnp_acsf.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'nnp_acsf.mod' due to: nnp_acsf.o /build/reproducible-path/cp2k-8.1/src/nnp_acsf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod nnp_environment_types.mod cell_types.mod mathconstants.mod periodic_table.mod kinds.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'nnp_force.o' due to: /build/reproducible-path/cp2k-8.1/src/nnp_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod nnp_environment_types.mod input_section_types.mod particle_types.mod distribution_1d_types.mod kinds.mod message_passing.mod cp_units.mod cp_output_handling.mod cp_log_handling.mod periodic_table.mod base_hooks.mod nnp_model.mod nnp_acsf.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'nnp_force.o' due to: /build/reproducible-path/cp2k-8.1/src/nnp_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod nnp_environment_types.mod cp_subsys_types.mod distribution_1d_types.mod cp_units.mod nnp_model.mod periodic_table.mod nnp_acsf.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod physcon.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/nnp_force.F nnp_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' nnp_force.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'nnp_force.mod' due to: nnp_force.o /build/reproducible-path/cp2k-8.1/src/nnp_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod nnp_environment_types.mod input_section_types.mod particle_types.mod distribution_1d_types.mod kinds.mod message_passing.mod cp_units.mod cp_output_handling.mod cp_log_handling.mod periodic_table.mod base_hooks.mod nnp_model.mod nnp_acsf.mod physcon.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' nnp_force.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'nnp_force.mod' due to: nnp_force.o /build/reproducible-path/cp2k-8.1/src/nnp_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod nnp_environment_types.mod cp_subsys_types.mod distribution_1d_types.mod cp_units.mod nnp_model.mod periodic_table.mod nnp_acsf.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod physcon.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_cdft_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_cdft_types.mod pw_env_types.mod force_env_types.mod qs_kind_types.mod mixed_cdft_types.mod hirshfeld_types.mod cp_control_types.mod qs_environment_types.mod mixed_environment_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod global_types.mod cp_subsys_types.mod pw_pool_types.mod realspace_grid_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod gaussian_gridlevels.mod cp_files.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod cp_realspace_grid_init.mod cp_log_handling.mod input_constants.mod d3_poly.mod cube_utils.mod cp_array_utils.mod pw_env_methods.mod pw_grids.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F mixed_cdft_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:22:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mixed_cdft_utils.F90 -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:981:69: - - 981 | mixed_cdft%sub_logger(i)%p%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1567:42: - - 1567 | nzeroed = nzeroed + 1 - | ^ -Warning: 'nzeroed' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1058:92: - - 1058 | TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: matrix_p_tmp, mixed_matrix_p_tmp, & - | ^ -Warning: 'mixed_matrix_p_tmp.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1058:92: Warning: 'mixed_matrix_p_tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1056:69: - - 1056 | TYPE(cp_1d_r_p_type), ALLOCATABLE, DIMENSION(:, :) :: occno_tmp - | ^ -Warning: 'occno_tmp.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1056:69: Warning: 'occno_tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1058:72: - - 1058 | TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: matrix_p_tmp, mixed_matrix_p_tmp, & - | ^ -Warning: 'matrix_p_tmp.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1058:72: Warning: 'matrix_p_tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1064:74: - - 1064 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, w_matrix - | ^ -Warning: 'density_matrix.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1064:74: Warning: 'density_matrix.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_cdft_utils.mod' due to: mixed_cdft_utils.o /build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_cdft_types.mod pw_env_types.mod force_env_types.mod qs_kind_types.mod mixed_cdft_types.mod hirshfeld_types.mod cp_control_types.mod qs_environment_types.mod mixed_environment_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod global_types.mod cp_subsys_types.mod pw_pool_types.mod realspace_grid_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod gaussian_gridlevels.mod cp_files.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod cp_realspace_grid_init.mod cp_log_handling.mod input_constants.mod d3_poly.mod cube_utils.mod cp_array_utils.mod pw_env_methods.mod pw_grids.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_eam.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_eam.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fist_neighbor_list_types.mod cp_para_types.mod pair_potential_types.mod particle_types.mod fist_nonbond_env_types.mod cell_types.mod kinds.mod base_hooks.mod bibliography.mod mathlib.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_eam.F manybody_eam.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_eam.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_eam.mod' due to: manybody_eam.o /build/reproducible-path/cp2k-8.1/src/manybody_eam.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fist_neighbor_list_types.mod cp_para_types.mod pair_potential_types.mod particle_types.mod fist_nonbond_env_types.mod cell_types.mod kinds.mod base_hooks.mod bibliography.mod mathlib.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_cdft_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_cdft_types.mod qs_energy_types.mod pw_env_types.mod force_env_types.mod qs_kind_types.mod mixed_cdft_types.mod hirshfeld_types.mod cp_control_types.mod particle_types.mod qs_environment_types.mod mixed_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod cp_subsys_types.mod pw_pool_types.mod realspace_grid_types.mod pw_types.mod kinds.mod ao_util.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod mathlib.mod util.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod hirshfeld_methods.mod base_hooks.mod mixed_cdft_utils.mod machine.mod qs_mo_io.mod grid_api.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_gemm_interface.mod cp_array_utils.mod cp_units.mod cp_dbcsr_diag.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:23:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mixed_cdft_methods.F90 -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1188:95: - - 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & - | ^ -Warning: 'density_matrix_diff.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2034:40: - - 2034 | metric(:, :) = metric(:, :)/4.0_dp - | ^ -Warning: 'density_matrix_diff.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1188:95: - - 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & - | ^ -note: 'density_matrix_diff.dim[1].ubound' was declared here -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1188:95: Warning: 'density_matrix_diff.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1171:64: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mol_force.o' due to: /build/reproducible-path/cp2k-8.1/src/mol_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_field_kind_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mol_force.F mol_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mol_force.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mol_force.mod' due to: mol_force.o /build/reproducible-path/cp2k-8.1/src/mol_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_field_kind_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_intra_force.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_intra_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod molecule_types.mod particle_types.mod cell_types.mod atprop_types.mod distribution_1d_types.mod mol_force.mod kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_intra_force.F fist_intra_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_intra_force.F90 +/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:119:64: - 1171 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: homo + 119 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: pv_a | ^ -Warning: 'homo.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1171:64: Warning: 'homo.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1188:74: - - 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & - | ^ -Warning: 'density_matrix.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1509:84: - - 1509 | density_matrix(jstate, ispin)%matrix, -1.0_dp, 1.0_dp) - | ^ -Warning: 'density_matrix.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1188:74: - - 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & - | ^ -Warning: 'density_matrix.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2764:69: - - 2764 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched - | ^ -Warning: 'mask_recv.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2764:80: - - 2764 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched - | ^ -Warning: 'mask_send.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3401:97: +Warning: 'pv_a.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:119:64: Warning: 'pv_a.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:414:88: - 3401 | ALLOCATE (req_total(COUNT(mixed_cdft%dlb_control%recv_work_repl) + 2*COUNT(touched))) - | ^ -Warning: 'touched.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2764:89: + 414 | CALL get_pv_torsion(k1, k3, k4, t12, t32, t43, pv_a(:, :, index_d)) + | ^ +Warning: 'pv_a.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:118:66: - 2764 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched - | ^ -note: 'touched.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2830:93: + 118 | REAL(KIND=dp), DIMENSION(:), POINTER :: ener_a + | ^ +Warning: 'ener_a.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:118:66: Warning: 'ener_a.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:387:71: - 2830 | REAL(bo(2, 1) - bo(1, 1) + 1, dp)) - | ^ -Warning: 'my_work_size' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2309:44: + 387 | ener_a(index_d) = ener_a(index_d) + energy*0.25_dp + | ^ +Warning: 'ener_a.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_intra_force.mod' due to: fist_intra_force.o /build/reproducible-path/cp2k-8.1/src/fist_intra_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod molecule_types.mod particle_types.mod cell_types.mod atprop_types.mod distribution_1d_types.mod mol_force.mod kinds.mod cp_log_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_efield_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_efield_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_environment_types.mod particle_types.mod fist_efield_types.mod cell_types.mod cp_result_types.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod moments_utils.mod cp_result_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_efield_methods.F fist_efield_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_efield_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_efield_methods.mod' due to: fist_efield_methods.o /build/reproducible-path/cp2k-8.1/src/fist_efield_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_environment_types.mod particle_types.mod fist_efield_types.mod cell_types.mod cp_result_types.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod moments_utils.mod cp_result_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_pol_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_pol_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod ewald_pw_types.mod particle_types.mod fist_energy_types.mod fist_nonbond_env_types.mod multipole_types.mod pw_poisson_types.mod cell_types.mod ewald_environment_types.mod distribution_1d_types.mod ewalds_multipole.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod message_passing.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_pol_scf.F fist_pol_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_pol_scf.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_pol_scf.mod' due to: fist_pol_scf.o /build/reproducible-path/cp2k-8.1/src/fist_pol_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod ewald_pw_types.mod particle_types.mod fist_energy_types.mod fist_nonbond_env_types.mod multipole_types.mod pw_poisson_types.mod cell_types.mod ewald_environment_types.mod distribution_1d_types.mod ewalds_multipole.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod message_passing.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_nonbond_force.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod particle_types.mod atprop_types.mod shell_potential_types.mod splines_types.mod pair_potential_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod cell_types.mod cp_log_handling.mod pair_potential_coulomb.mod message_passing.mod splines_methods.mod mathlib.mod machine.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F fist_nonbond_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_nonbond_force.F90 +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:442:96: - 2309 | jatom, katom, my_work, my_work_size, natom, nforce_eval, nkind, np(3), npme, nthread, & - | ^ -note: 'my_work_size' was declared here -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3877:61: + 442 | ei_interaction_cutoffs(2, kind_a, kind_b)) + | ^ +Warning: 'qcore_b' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:60: - 3877 | DO i = LBOUND(weight, 3), UBOUND(weight, 3) - | ^ -Warning: 'weight.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: + 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qcore_b' was declared here +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:399:96: - 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight - | ^ -note: 'weight.dim[2].lbound' was declared here -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3877:61: + 399 | ei_interaction_cutoffs(1, kind_a, kind_b)) + | ^ +Warning: 'qcore_a' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:51: - 3877 | DO i = LBOUND(weight, 3), UBOUND(weight, 3) - | ^ -Warning: 'weight.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: + 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qcore_a' was declared here +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:419:96: - 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight - | ^ -note: 'weight.dim[2].stride' was declared here -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3829:58: + 419 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qshell_b' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:96: - 3829 | DO j = LBOUND(weight, 2), UBOUND(weight, 2) - | ^ -Warning: 'weight.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: + 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qshell_b' was declared here +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:419:96: - 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight - | ^ -note: 'weight.dim[1].lbound' was declared here -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3829:58: + 419 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qshell_a' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:86: - 3829 | DO j = LBOUND(weight, 2), UBOUND(weight, 2) - | ^ -Warning: 'weight.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: + 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qshell_a' was declared here +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:478:96: - 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight - | ^ -note: 'weight.dim[1].stride' was declared here -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: 'weight.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: 'weight.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: 'weight.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: + 478 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qeff_b' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:76: - 3555 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: gradients - | ^ -Warning: 'gradients.dim[3].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: 'gradients.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: 'gradients.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: 'gradients.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: 'gradients.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: + 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qeff_b' was declared here +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:460:96: - 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight - | ^ -Warning: 'cavity.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: Warning: 'cavity.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: Warning: 'cavity.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: Warning: 'cavity.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3549:68: + 460 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qeff_a' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:68: - 3549 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj + 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & | ^ -Warning: 'dp_i_drj.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3549:68: Warning: 'dp_i_drj.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3548:83: +note: 'qeff_a' was declared here +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:533:31: - 3548 | distance_vecs, dP_i_dRi - | ^ -Warning: 'dp_i_dri.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3547:87: + 533 | !$OMP ATOMIC + | ^ +Warning: 'shell_b' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:104:59: - 3547 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_const_dR, d_sum_Pm_dR, & - | ^ -Warning: 'd_sum_pm_dr.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3547:74: + 104 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type + | ^ +note: 'shell_b' was declared here +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:525:31: - 3547 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_const_dR, d_sum_Pm_dR, & - | ^ -Warning: 'd_sum_const_dr.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_cdft_methods.mod' due to: mixed_cdft_methods.o /build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_cdft_types.mod qs_energy_types.mod pw_env_types.mod force_env_types.mod qs_kind_types.mod mixed_cdft_types.mod hirshfeld_types.mod cp_control_types.mod particle_types.mod qs_environment_types.mod mixed_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod cp_subsys_types.mod pw_pool_types.mod realspace_grid_types.mod pw_types.mod kinds.mod ao_util.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod mathlib.mod util.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod hirshfeld_methods.mod base_hooks.mod mixed_cdft_utils.mod machine.mod qs_mo_io.mod grid_api.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_gemm_interface.mod cp_array_utils.mod cp_units.mod cp_dbcsr_diag.mod cp_realspace_grid_cube.mod + 525 | !$OMP ATOMIC + | ^ +Warning: 'shell_a' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:104:50: + + 104 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type + | ^ +note: 'shell_a' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_nonbond_force.mod' due to: fist_nonbond_force.o /build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod particle_types.mod atprop_types.mod shell_potential_types.mod splines_types.mod pair_potential_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod cell_types.mod cp_log_handling.mod pair_potential_coulomb.mod message_passing.mod splines_methods.mod mathlib.mod machine.mod mathconstants.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'external_potential_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/external_potential_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod force_env_types.mod kinds.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod fparser.mod force_fields_util.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/external_potential_methods.F external_potential_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:23:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' external_potential_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'external_potential_methods.mod' due to: external_potential_methods.o /build/reproducible-path/cp2k-8.1/src/external_potential_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod force_env_types.mod kinds.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod fparser.mod force_fields_util.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewalds.o' due to: /build/reproducible-path/cp2k-8.1/src/ewalds.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod dg_rho0_types.mod ewald_environment_types.mod pw_pool_types.mod particle_types.mod shell_potential_types.mod pw_grid_types.mod dg_types.mod ewald_pw_types.mod structure_factor_types.mod distribution_1d_types.mod cell_types.mod message_passing.mod mathlib.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod structure_factors.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewalds.F ewalds.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:36:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewalds.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewalds.mod' due to: ewalds.o /build/reproducible-path/cp2k-8.1/src/ewalds.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod dg_rho0_types.mod ewald_environment_types.mod pw_pool_types.mod particle_types.mod shell_potential_types.mod pw_grid_types.mod dg_types.mod ewald_pw_types.mod structure_factor_types.mod distribution_1d_types.mod cell_types.mod message_passing.mod mathlib.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod structure_factors.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'grrm_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/grrm_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod force_env_types.mod kinds.mod base_hooks.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/grrm_utils.F grrm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:23:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' grrm_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'grrm_utils.mod' due to: grrm_utils.o /build/reproducible-path/cp2k-8.1/src/grrm_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod force_env_types.mod kinds.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pme.o' due to: /build/reproducible-path/cp2k-8.1/src/pme.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod dg_rho0_types.mod ewald_environment_types.mod pw_pool_types.mod particle_types.mod realspace_grid_types.mod atprop_types.mod shell_potential_types.mod pw_grid_types.mod dg_types.mod pw_types.mod ewald_pw_types.mod structure_factor_types.mod cell_types.mod dgs.mod pw_poisson_methods.mod pw_methods.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod pme_tools.mod structure_factors.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pme.F pme.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pme.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pme.mod' due to: pme.o /build/reproducible-path/cp2k-8.1/src/pme.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod dg_rho0_types.mod ewald_environment_types.mod pw_pool_types.mod particle_types.mod realspace_grid_types.mod atprop_types.mod shell_potential_types.mod pw_grid_types.mod dg_types.mod pw_types.mod ewald_pw_types.mod structure_factor_types.mod cell_types.mod dgs.mod pw_poisson_methods.mod pw_methods.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod pme_tools.mod structure_factors.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mm_collocate_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/mm_collocate_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cell_types.mod kinds.mod cube_utils.mod ao_util.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mm_collocate_potential.F mm_collocate_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:23:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mm_collocate_potential.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mm_collocate_potential.mod' due to: mm_collocate_potential.o /build/reproducible-path/cp2k-8.1/src/mm_collocate_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cell_types.mod kinds.mod cube_utils.mod ao_util.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_quip.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_quip.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod particle_types.mod fist_nonbond_env_types.mod cell_types.mod kinds.mod cp_log_handling.mod base_hooks.mod bibliography.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_quip.F manybody_quip.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_quip.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_quip.mod' due to: manybody_quip.o /build/reproducible-path/cp2k-8.1/src/manybody_quip.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod particle_types.mod fist_nonbond_env_types.mod cell_types.mod kinds.mod cp_log_handling.mod base_hooks.mod bibliography.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_tb_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod xtb_types.mod ewald_pw_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod qs_ks_qmmm_types.mod cp_para_types.mod qs_dftb_types.mod pw_poisson_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod spme.mod mulliken.mod qs_neighbor_lists.mod qs_dftb_coulomb.mod qs_dftb_utils.mod base_hooks.mod qmmm_util.mod qs_overlap.mod input_constants.mod qs_dftb_matrices.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F qmmm_tb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:23:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_tb_methods.F90 -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:1395:37: - - 1395 | force_ab = -fsr*rij/dr - | ^ -Warning: 'fsr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:895:13: - - 895 | IF (do_dftb) THEN - | ^ -Warning: 'do_dftb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:897:17: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_tersoff.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_tersoff.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fist_neighbor_list_types.mod pair_potential_types.mod fist_nonbond_env_types.mod cell_types.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod util.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_tersoff.F manybody_tersoff.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_tersoff.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_tersoff.mod' due to: manybody_tersoff.o /build/reproducible-path/cp2k-8.1/src/manybody_tersoff.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fist_neighbor_list_types.mod pair_potential_types.mod fist_nonbond_env_types.mod cell_types.mod mathconstants.mod kinds.mod base_hooks.mod mathlib.mod util.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_gal.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_gal.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod particle_types.mod fist_nonbond_env_types.mod cell_types.mod kinds.mod cp_log_handling.mod base_hooks.mod mathlib.mod message_passing.mod util.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_gal.F manybody_gal.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_gal.F90 +/build/reproducible-path/cp2k-8.1/src/manybody_gal.F:171:126: - 897 | ELSEIF (do_xtb) THEN - | ^ -Warning: 'do_xtb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:652:13: + 171 | - gal%bxy*drji2*sinalpha*sinalpha)) + | ^ +Warning: 'sinalpha' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/manybody_gal.F:171:126: Warning: 'cosalpha' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/manybody_gal.F:172:33: - 652 | IF (do_dftb) THEN - | ^ -Warning: 'do_dftb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:654:17: + 172 | IF (weight == 0 .AND. index_outfile > 0) WRITE (index_outfile, *) "Fermi 0" + | ^ +Warning: 'weight' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_gal.mod' due to: manybody_gal.o /build/reproducible-path/cp2k-8.1/src/manybody_gal.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod particle_types.mod fist_nonbond_env_types.mod cell_types.mod kinds.mod cp_log_handling.mod base_hooks.mod mathlib.mod message_passing.mod util.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_siepmann.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_siepmann.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod particle_types.mod fist_nonbond_env_types.mod cell_types.mod kinds.mod cp_log_handling.mod base_hooks.mod mathlib.mod message_passing.mod util.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_siepmann.F manybody_siepmann.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_siepmann.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_siepmann.mod' due to: manybody_siepmann.o /build/reproducible-path/cp2k-8.1/src/manybody_siepmann.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod particle_types.mod fist_nonbond_env_types.mod cell_types.mod kinds.mod cp_log_handling.mod base_hooks.mod mathlib.mod message_passing.mod util.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod particle_types.mod cp_para_types.mod pair_potential_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod cell_types.mod manybody_quip.mod manybody_eam.mod manybody_tersoff.mod message_passing.mod util.mod mathlib.mod manybody_gal.mod kinds.mod base_hooks.mod manybody_siepmann.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_potential.F manybody_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_potential.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_potential.mod' due to: manybody_potential.o /build/reproducible-path/cp2k-8.1/src/manybody_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod particle_types.mod cp_para_types.mod pair_potential_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod cell_types.mod manybody_quip.mod manybody_eam.mod manybody_tersoff.mod message_passing.mod util.mod mathlib.mod manybody_gal.mod kinds.mod base_hooks.mod manybody_siepmann.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_force.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_environment_types.mod fist_nonbond_env_types.mod pw_poisson_types.mod ewald_environment_types.mod particle_types.mod atprop_types.mod molecule_kind_types.mod shell_potential_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod ewald_pw_types.mod fist_efield_types.mod fist_energy_types.mod virial_types.mod distribution_1d_types.mod multipole_types.mod cell_types.mod cp_subsys_types.mod manybody_eam.mod cp_log_handling.mod message_passing.mod fist_intra_force.mod cp_units.mod ewald_pw_methods.mod fist_efield_methods.mod spme.mod fist_pol_scf.mod fist_neighbor_list_control.mod cp_output_handling.mod fist_nonbond_force.mod ewalds_multipole.mod kinds.mod ewalds.mod base_hooks.mod pme.mod input_constants.mod manybody_potential.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_force.F fist_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_force.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_force.mod' due to: fist_force.o /build/reproducible-path/cp2k-8.1/src/fist_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod fist_environment_types.mod fist_nonbond_env_types.mod pw_poisson_types.mod ewald_environment_types.mod particle_types.mod atprop_types.mod molecule_kind_types.mod shell_potential_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod ewald_pw_types.mod fist_efield_types.mod fist_energy_types.mod virial_types.mod distribution_1d_types.mod multipole_types.mod cell_types.mod cp_subsys_types.mod manybody_eam.mod cp_log_handling.mod message_passing.mod fist_intra_force.mod cp_units.mod ewald_pw_methods.mod fist_efield_methods.mod spme.mod fist_pol_scf.mod fist_neighbor_list_control.mod cp_output_handling.mod fist_nonbond_force.mod ewalds_multipole.mod kinds.mod ewalds.mod base_hooks.mod pme.mod input_constants.mod manybody_potential.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'beta_gamma_psi.o' due to: /build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F beta_gamma_psi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' beta_gamma_psi.F90 +/build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F:2275:2: - 654 | ELSEIF (do_xtb) THEN - | ^ -Warning: 'do_xtb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:377:10: + 2275 | 20 f = a*rlog1(-lambda/a) + b*rlog1(lambda/b) + | 1 +Warning: Label 20 at (1) defined but not used [-Wunused-label] +/build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F:153:3: - 377 | IF (do_dftb) THEN - | ^ -Warning: 'do_dftb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:379:14: + 153 | FUNCTION epsln() RESULT(fn_val) + | ^ +Warning: 'epsln' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F:173:3: - 379 | ELSEIF (do_xtb) THEN - | ^ -Warning: 'do_xtb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:277:10: + 173 | FUNCTION exparg(l) RESULT(fn_val) + | ^ +Warning: 'exparg' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F:202:3: - 277 | IF (do_dftb) THEN - | ^ -Warning: 'do_dftb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:279:14: + 202 | FUNCTION depsln() RESULT(fn_val) + | ^ +Warning: 'depsln' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F:1353:20: - 279 | ELSEIF (do_xtb) THEN - | ^ -Warning: 'do_xtb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:161:10: + 1353 | SUBROUTINE bratio(a, b, x, y, w, w1, ierr) + | ^ +Warning: 'bratio' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'beta_gamma_psi.mod' due to: beta_gamma_psi.o /build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fp_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/fp_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fp_types.mod particle_list_types.mod particle_types.mod cell_types.mod cp_subsys_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod beta_gamma_psi.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fp_methods.F fp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fp_methods.F90 +/build/reproducible-path/cp2k-8.1/src/fp_methods.F:197:72: - 161 | IF (do_dftb) THEN - | ^ -Warning: 'do_dftb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:163:14: + 197 | tmpstr = cp_iter_string(logger%iter_info, fp_env%print_section) + | 1 +Warning: CHARACTER expression will be truncated in assignment (15/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/fp_methods.F:183:53: - 163 | ELSEIF (do_xtb) THEN - | ^ -Warning: 'do_xtb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_tb_methods.mod' due to: qmmm_tb_methods.o /build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod xtb_types.mod ewald_pw_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod qs_ks_qmmm_types.mod cp_para_types.mod qs_dftb_types.mod pw_poisson_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod spme.mod mulliken.mod qs_neighbor_lists.mod qs_dftb_coulomb.mod qs_dftb_utils.mod base_hooks.mod qmmm_util.mod qs_overlap.mod input_constants.mod qs_dftb_matrices.mod + 183 | fp_env%bias_weight = EXP(fp_env%bias_energy/kT) + | ^ +Warning: 'kt' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fp_methods.mod' due to: fp_methods.o /build/reproducible-path/cp2k-8.1/src/fp_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fp_types.mod particle_list_types.mod particle_types.mod cell_types.mod cp_subsys_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod beta_gamma_psi.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_se_energy.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_se_energy.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod qs_neighbor_list_types.mod cell_types.mod multipole_types.mod qs_ks_qmmm_types.mod cp_para_types.mod semi_empirical_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod qs_neighbor_lists.mod cp_output_handling.mod semi_empirical_utils.mod base_hooks.mod qmmm_util.mod cp_log_handling.mod qs_overlap.mod input_constants.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_se_energy.F qmmm_se_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:23:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_se_energy.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_se_energy.mod' due to: qmmm_se_energy.o /build/reproducible-path/cp2k-8.1/src/qmmm_se_energy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod qs_neighbor_list_types.mod cell_types.mod multipole_types.mod qs_ks_qmmm_types.mod cp_para_types.mod semi_empirical_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod qs_neighbor_lists.mod cp_output_handling.mod semi_empirical_utils.mod base_hooks.mod qmmm_util.mod cp_log_handling.mod qs_overlap.mod input_constants.mod cp_dbcsr_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ec_efield_local.o' due to: /build/reproducible-path/cp2k-8.1/src/ec_efield_local.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ec_env_types.mod atomic_kind_types.mod qs_period_efield_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_moments.mod orbital_pointers.mod kinds.mod base_hooks.mod ai_moments.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ec_efield_local.F ec_efield_local.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ec_efield_local.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ec_efield_local.mod' due to: ec_efield_local.o /build/reproducible-path/cp2k-8.1/src/ec_efield_local.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ec_env_types.mod atomic_kind_types.mod qs_period_efield_types.mod particle_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_moments.mod orbital_pointers.mod kinds.mod base_hooks.mod ai_moments.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gpw_energy.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_energy.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qmmm_gaussian_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod particle_list_types.mod cell_types.mod pw_pool_types.mod qs_ks_qmmm_types.mod cp_para_types.mod pw_types.mod kinds.mod message_passing.mod cp_output_handling.mod base_hooks.mod cp_spline_utils.mod qmmm_util.mod mm_collocate_potential.mod qmmm_tb_methods.mod pw_methods.mod cp_log_handling.mod input_constants.mod cube_utils.mod qmmm_se_energy.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:23:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_gpw_energy.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gpw_energy.mod' due to: qmmm_gpw_energy.o /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_energy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qmmm_gaussian_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod particle_list_types.mod cell_types.mod pw_pool_types.mod qs_ks_qmmm_types.mod cp_para_types.mod pw_types.mod kinds.mod message_passing.mod cp_output_handling.mod base_hooks.mod cp_spline_utils.mod qmmm_util.mod mm_collocate_potential.mod qmmm_tb_methods.mod pw_methods.mod cp_log_handling.mod input_constants.mod cube_utils.mod qmmm_se_energy.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xtb_ehess.o' due to: /build/reproducible-path/cp2k-8.1/src/xtb_ehess.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod ewald_environment_types.mod particle_types.mod atprop_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod distribution_1d_types.mod xtb_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod xtb_coulomb.mod ewald_methods_tb.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xtb_ehess.F xtb_ehess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xtb_ehess.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xtb_ehess.mod' due to: xtb_ehess.o /build/reproducible-path/cp2k-8.1/src/xtb_ehess.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod ewald_environment_types.mod particle_types.mod atprop_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod distribution_1d_types.mod xtb_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod xtb_coulomb.mod ewald_methods_tb.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_se_forces.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_se_forces.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod cell_types.mod multipole_types.mod qs_ks_qmmm_types.mod cp_para_types.mod semi_empirical_types.mod kinds.mod message_passing.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod semi_empirical_utils.mod base_hooks.mod qmmm_util.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_se_forces.F qmmm_se_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:23:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_se_forces.F90 -/build/reproducible-path/cp2k-8.1/src/qmmm_se_forces.F:209:17: - - 209 | CPASSERT(iqm == number_qm_atoms) - | ^ -Warning: 'iqm' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_se_forces.mod' due to: qmmm_se_forces.o /build/reproducible-path/cp2k-8.1/src/qmmm_se_forces.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod cell_types.mod multipole_types.mod qs_ks_qmmm_types.mod cp_para_types.mod semi_empirical_types.mod kinds.mod message_passing.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod semi_empirical_utils.mod base_hooks.mod qmmm_util.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod pw_poisson_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod xc_rho_set_types.mod kg_environment_types.mod pw_pool_types.mod particle_types.mod qs_mo_types.mod admm_types.mod pw_env_types.mod hfx_types.mod xc_rho_cflags_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_kpp1_env_types.mod qs_ks_types.mod xtb_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod qs_environment_types.mod kg_correction.mod xtb_ehess.mod cp_fm_basic_linalg.mod qs_loc_utils.mod cp_log_handling.mod hfx_energy_potential.mod hartree_local_methods.mod xc.mod message_passing.mod pw_poisson_methods.mod lri_ks_methods.mod cp_fm_vect.mod qs_ks_atom.mod pw_methods.mod qs_gapw_densities.mod mulliken.mod cp_output_handling.mod machine.mod qs_rho_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_integrate_potential.mod cp_external_control.mod cp_files.mod qs_vxc_atom.mod cp_dbcsr_operations.mod preconditioner.mod qs_collocate_density.mod qs_rho0_ggrid.mod input_constants.mod string_utilities.mod xc_derivatives.mod qs_loc_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_methods.F qs_linres_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_methods.mod' due to: qs_linres_methods.o /build/reproducible-path/cp2k-8.1/src/qs_linres_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod pw_poisson_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod xc_rho_set_types.mod kg_environment_types.mod pw_pool_types.mod particle_types.mod qs_mo_types.mod admm_types.mod pw_env_types.mod hfx_types.mod xc_rho_cflags_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_kpp1_env_types.mod qs_ks_types.mod xtb_types.mod cp_control_types.mod lri_environment_types.mod qs_rho_types.mod qs_environment_types.mod kg_correction.mod xtb_ehess.mod cp_fm_basic_linalg.mod qs_loc_utils.mod cp_log_handling.mod hfx_energy_potential.mod hartree_local_methods.mod xc.mod message_passing.mod pw_poisson_methods.mod lri_ks_methods.mod cp_fm_vect.mod qs_ks_atom.mod pw_methods.mod qs_gapw_densities.mod mulliken.mod cp_output_handling.mod machine.mod qs_rho_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_integrate_potential.mod cp_external_control.mod cp_files.mod qs_vxc_atom.mod cp_dbcsr_operations.mod preconditioner.mod qs_collocate_density.mod qs_rho0_ggrid.mod input_constants.mod string_utilities.mod xc_derivatives.mod qs_loc_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gpw_forces.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod qs_rho_types.mod qmmm_gaussian_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod cell_types.mod pw_pool_types.mod qs_ks_qmmm_types.mod cp_para_types.mod pw_types.mod kinds.mod message_passing.mod qmmm_gpw_energy.mod cp_output_handling.mod base_hooks.mod cp_spline_utils.mod qmmm_util.mod mm_collocate_potential.mod qmmm_tb_methods.mod qmmm_se_forces.mod pw_methods.mod cp_log_handling.mod input_constants.mod cube_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_gpw_forces.F90 -/build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: - - 484 | tmp = rho%cr3d(lb(1), :, :) - | ^ -Warning: 'tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: Warning: 'tmp.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: Warning: 'tmp.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_kpp1_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod pw_poisson_types.mod qs_p_env_types.mod xc_rho_set_types.mod pw_pool_types.mod xc_rho_cflags_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kpp1_env_types.mod qs_energy_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod hartree_local_methods.mod xc.mod pw_poisson_methods.mod qs_ks_atom.mod pw_methods.mod kahan_sum.mod qs_gapw_densities.mod cp_output_handling.mod kinds.mod base_hooks.mod qs_ks_methods.mod qs_integrate_potential.mod qs_vxc_atom.mod cp_dbcsr_operations.mod xc_derivatives.mod qs_rho0_ggrid.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_methods.F qs_kpp1_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_kpp1_env_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_kpp1_env_methods.mod' due to: qs_kpp1_env_methods.o /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod pw_poisson_types.mod qs_p_env_types.mod xc_rho_set_types.mod pw_pool_types.mod xc_rho_cflags_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kpp1_env_types.mod qs_energy_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod hartree_local_methods.mod xc.mod pw_poisson_methods.mod qs_ks_atom.mod pw_methods.mod kahan_sum.mod qs_gapw_densities.mod cp_output_handling.mod kinds.mod base_hooks.mod qs_ks_methods.mod qs_integrate_potential.mod qs_vxc_atom.mod cp_dbcsr_operations.mod xc_derivatives.mod qs_rho0_ggrid.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_p_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_p_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod atomic_kind_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod qs_mo_types.mod hartree_local_types.mod pw_env_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_kind_types.mod qs_kpp1_env_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_local_rho_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod hartree_local_methods.mod cp_fm_vect.mod cp_blacs_env.mod cp_output_handling.mod qs_rho_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_kpp1_env_methods.mod base_hooks.mod qs_ks_methods.mod cp_fm_cholesky.mod qs_matrix_pools.mod qs_rho0_methods.mod cp_dbcsr_operations.mod string_utilities.mod qs_rho0_ggrid.mod input_constants.mod qs_rho_atom_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_p_env_methods.F qs_p_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_p_env_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_p_env_methods.mod' due to: qs_p_env_methods.o /build/reproducible-path/cp2k-8.1/src/qs_p_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod atomic_kind_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod qs_mo_types.mod hartree_local_types.mod pw_env_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_kind_types.mod qs_kpp1_env_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_local_rho_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod hartree_local_methods.mod cp_fm_vect.mod cp_blacs_env.mod cp_output_handling.mod qs_rho_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_kpp1_env_methods.mod base_hooks.mod qs_ks_methods.mod cp_fm_cholesky.mod qs_matrix_pools.mod qs_rho0_methods.mod cp_dbcsr_operations.mod string_utilities.mod qs_rho0_ggrid.mod input_constants.mod qs_rho_atom_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'response_solver.o' due to: /build/reproducible-path/cp2k-8.1/src/response_solver.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod xc_derivative_set_types.mod pw_poisson_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod xc_rho_set_types.mod kg_environment_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod xc_rho_cflags_types.mod admm_types.mod pw_env_types.mod hfx_types.mod pw_grid_types.mod pw_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod kg_correction.mod cp_log_handling.mod hfx_derivatives.mod qs_core_energies.mod hfx_energy_potential.mod xc.mod message_passing.mod core_ppnl.mod pw_poisson_methods.mod cp_dbcsr_cp2k_link.mod pw_methods.mod cp_blacs_env.mod qs_linres_methods.mod kg_tnadd_mat.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_overlap.mod qs_vxc.mod base_hooks.mod qs_ks_methods.mod qs_integrate_potential.mod qs_p_env_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_kinetic.mod xc_derivatives.mod input_constants.mod core_ppl.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/response_solver.F response_solver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' response_solver.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'response_solver.mod' due to: response_solver.o /build/reproducible-path/cp2k-8.1/src/response_solver.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod xc_derivative_set_types.mod pw_poisson_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod xc_rho_set_types.mod kg_environment_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod xc_rho_cflags_types.mod admm_types.mod pw_env_types.mod hfx_types.mod pw_grid_types.mod pw_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod kg_correction.mod cp_log_handling.mod hfx_derivatives.mod qs_core_energies.mod hfx_energy_potential.mod xc.mod message_passing.mod core_ppnl.mod pw_poisson_methods.mod cp_dbcsr_cp2k_link.mod pw_methods.mod cp_blacs_env.mod qs_linres_methods.mod kg_tnadd_mat.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_overlap.mod qs_vxc.mod base_hooks.mod qs_ks_methods.mod qs_integrate_potential.mod qs_p_env_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_kinetic.mod xc_derivatives.mod input_constants.mod core_ppl.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mao_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/mao_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod basis_set_container_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod qs_interactions.mod kpoint_methods.mod cp_dbcsr_cp2k_link.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod lapack.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mao_methods.F mao_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mao_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mao_methods.mod' due to: mao_methods.o /build/reproducible-path/cp2k-8.1/src/mao_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod basis_set_container_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod qs_interactions.mod kpoint_methods.mod cp_dbcsr_cp2k_link.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod lapack.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mao_optimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/mao_optimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mao_methods.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mao_optimizer.F mao_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mao_optimizer.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mao_optimizer.mod' due to: mao_optimizer.o /build/reproducible-path/cp2k-8.1/src/mao_optimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mao_methods.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mao_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/mao_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod cp_control_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod qs_neighbor_list_types.mod qs_ks_types.mod qs_environment_types.mod mao_methods.mod qs_overlap.mod kinds.mod cp_dbcsr_operations.mod mao_optimizer.mod base_hooks.mod qs_neighbor_lists.mod particle_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mao_basis.F mao_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mao_basis.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mao_basis.mod' due to: mao_basis.o /build/reproducible-path/cp2k-8.1/src/mao_basis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod cp_control_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod qs_neighbor_list_types.mod qs_ks_types.mod qs_environment_types.mod mao_methods.mod qs_overlap.mod kinds.mod cp_dbcsr_operations.mod mao_optimizer.mod base_hooks.mod qs_neighbor_lists.mod particle_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'energy_corrections.o' due to: /build/reproducible-path/cp2k-8.1/src/energy_corrections.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod ec_env_types.mod input_section_types.mod atomic_kind_types.mod external_potential_types.mod xc_derivative_set_types.mod pw_poisson_types.mod cp_fm_types.mod xc_rho_set_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod xc_rho_cflags_types.mod pw_env_types.mod qs_force_types.mod pw_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod virial_types.mod qs_ks_types.mod distribution_1d_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_core_energies.mod xc.mod message_passing.mod core_ppnl.mod dm_ls_scf_methods.mod ec_efield_local.mod qs_moments.mod pw_poisson_methods.mod response_solver.mod task_list_methods.mod cp_dbcsr_cp2k_link.mod pw_methods.mod mao_basis.mod qs_neighbor_lists.mod cp_blacs_env.mod moments_utils.mod cp_output_handling.mod cp_fm_struct.mod kinds.mod qs_overlap.mod qs_vxc.mod base_hooks.mod qs_ks_methods.mod qs_integrate_potential.mod cp_fm_cholesky.mod physcon.mod cp_dbcsr_operations.mod qs_collocate_density.mod iterate_matrix.mod qs_kinetic.mod input_constants.mod qs_dispersion_pairpot.mod xc_derivatives.mod core_ppl.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/energy_corrections.F energy_corrections.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' energy_corrections.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'energy_corrections.mod' due to: energy_corrections.o /build/reproducible-path/cp2k-8.1/src/energy_corrections.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod ec_env_types.mod input_section_types.mod atomic_kind_types.mod external_potential_types.mod xc_derivative_set_types.mod pw_poisson_types.mod cp_fm_types.mod xc_rho_set_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod xc_rho_cflags_types.mod pw_env_types.mod qs_force_types.mod pw_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod virial_types.mod qs_ks_types.mod distribution_1d_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_core_energies.mod xc.mod message_passing.mod core_ppnl.mod dm_ls_scf_methods.mod ec_efield_local.mod qs_moments.mod pw_poisson_methods.mod response_solver.mod task_list_methods.mod cp_dbcsr_cp2k_link.mod pw_methods.mod mao_basis.mod qs_neighbor_lists.mod cp_blacs_env.mod moments_utils.mod cp_output_handling.mod cp_fm_struct.mod kinds.mod qs_overlap.mod qs_vxc.mod base_hooks.mod qs_ks_methods.mod qs_integrate_potential.mod cp_fm_cholesky.mod physcon.mod cp_dbcsr_operations.mod qs_collocate_density.mod iterate_matrix.mod qs_kinetic.mod input_constants.mod qs_dispersion_pairpot.mod xc_derivatives.mod core_ppl.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_core_core.o' due to: /build/reproducible-path/cp2k-8.1/src/se_core_core.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod ewald_environment_types.mod particle_types.mod atprop_types.mod semi_empirical_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod qs_energy_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod semi_empirical_utils.mod virial_methods.mod semi_empirical_integrals.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_core_core.F se_core_core.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_core_core.F90 +/build/reproducible-path/cp2k-8.1/src/se_core_core.F:213:53: - 484 | tmp = rho%cr3d(lb(1), :, :) - | ^ -Warning: 'tmp.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gpw_forces.mod' due to: qmmm_gpw_forces.o /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod qs_rho_types.mod qmmm_gaussian_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod cell_types.mod pw_pool_types.mod qs_ks_qmmm_types.mod cp_para_types.mod pw_types.mod kinds.mod message_passing.mod qmmm_gpw_energy.mod cp_output_handling.mod base_hooks.mod cp_spline_utils.mod qmmm_util.mod mm_collocate_potential.mod qmmm_tb_methods.mod qmmm_se_forces.mod pw_methods.mod cp_log_handling.mod input_constants.mod cube_utils.mod + 213 | dr3inv = -3.0_dp*rij*r3inv*r2inv + | ^ +Warning: 'r3inv' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/se_core_core.F:213:53: Warning: 'r2inv' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_core_core.mod' due to: se_core_core.o /build/reproducible-path/cp2k-8.1/src/se_core_core.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod ewald_environment_types.mod particle_types.mod atprop_types.mod semi_empirical_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod qs_energy_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod semi_empirical_utils.mod virial_methods.mod semi_empirical_integrals.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_core_matrix.o' due to: /build/reproducible-path/cp2k-8.1/src/se_core_matrix.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod virial_types.mod cp_para_types.mod semi_empirical_types.mod kinds.mod cp_dbcsr_operations.mod semi_empirical_int_arrays.mod cp_output_handling.mod semi_empirical_utils.mod virial_methods.mod base_hooks.mod physcon.mod cp_log_handling.mod qs_overlap.mod input_constants.mod cp_dbcsr_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_core_matrix.o' due to: /build/reproducible-path/cp2k-8.1/src/se_core_matrix.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod semi_empirical_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod cp_dbcsr_output.mod semi_empirical_utils.mod virial_methods.mod cp_output_handling.mod qs_overlap.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod physcon.mod cp_dbcsr_operations.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_core_matrix.F se_core_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' se_core_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_core_matrix.F90 /build/reproducible-path/cp2k-8.1/src/se_core_matrix.F:427:19: 427 | SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S) @@ -44629,47 +44784,136 @@ 371 | force(ikind)%all_potential(:, atom_a) - force_ab(:) | ^ Warning: 'atom_a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_core_matrix.mod' due to: se_core_matrix.o /build/reproducible-path/cp2k-8.1/src/se_core_matrix.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod virial_types.mod cp_para_types.mod semi_empirical_types.mod kinds.mod cp_dbcsr_operations.mod semi_empirical_int_arrays.mod cp_output_handling.mod semi_empirical_utils.mod virial_methods.mod base_hooks.mod physcon.mod cp_log_handling.mod qs_overlap.mod input_constants.mod cp_dbcsr_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_core_matrix.mod' due to: se_core_matrix.o /build/reproducible-path/cp2k-8.1/src/se_core_matrix.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod semi_empirical_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod cp_dbcsr_output.mod semi_empirical_utils.mod virial_methods.mod cp_output_handling.mod qs_overlap.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod physcon.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'se_core_core.o' due to: /build/reproducible-path/cp2k-8.1/src/se_core_core.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod ewald_pw_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod virial_types.mod cp_para_types.mod semi_empirical_types.mod atprop_types.mod kinds.mod message_passing.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod semi_empirical_utils.mod virial_methods.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/se_core_core.F se_core_core.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' se_core_core.F90 -/build/reproducible-path/cp2k-8.1/src/se_core_core.F:213:53: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_wfn_mix.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_wfn_mix.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_scf_types.mod qs_kind_types.mod qs_mo_types.mod particle_types.mod qs_mo_methods.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod qs_mo_io.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_wfn_mix.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_wfn_mix.mod' due to: qs_scf_wfn_mix.o /build/reproducible-path/cp2k-8.1/src/qs_scf_wfn_mix.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_scf_types.mod qs_kind_types.mod qs_mo_types.mod particle_types.mod qs_mo_methods.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod qs_mo_io.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molden_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/molden_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod cp_fm_types.mod atomic_kind_types.mod qs_kind_types.mod qs_mo_types.mod particle_types.mod mathconstants.mod orbital_transformation_matrices.mod periodic_table.mod kinds.mod cp_dbcsr_operations.mod cp_log_handling.mod base_hooks.mod input_constants.mod orbital_pointers.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/molden_utils.F molden_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molden_utils.F90 +/build/reproducible-path/cp2k-8.1/src/molden_utils.F:81:67: - 213 | dr3inv = -3.0_dp*rij*r3inv*r2inv - | ^ -Warning: 'r3inv' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/se_core_core.F:213:53: Warning: 'r2inv' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'se_core_core.mod' due to: se_core_core.o /build/reproducible-path/cp2k-8.1/src/se_core_core.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod ewald_pw_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod virial_types.mod cp_para_types.mod semi_empirical_types.mod atprop_types.mod kinds.mod message_passing.mod semi_empirical_int_arrays.mod semi_empirical_integrals.mod semi_empirical_utils.mod virial_methods.mod base_hooks.mod input_constants.mod + 81 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix + | ^ +Warning: 'cmatrix.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molden_utils.mod' due to: molden_utils.o /build/reproducible-path/cp2k-8.1/src/molden_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod cp_fm_types.mod atomic_kind_types.mod qs_kind_types.mod qs_mo_types.mod particle_types.mod mathconstants.mod orbital_transformation_matrices.mod periodic_table.mod kinds.mod cp_dbcsr_operations.mod cp_log_handling.mod base_hooks.mod input_constants.mod orbital_pointers.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_dispersion.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_dispersion.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_kind_types.mod qs_dispersion_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod virial_types.mod cp_para_types.mod qs_dftb_types.mod atprop_types.mod kinds.mod message_passing.mod virial_methods.mod qs_dftb_utils.mod base_hooks.mod qs_dispersion_pairpot.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dftb_dispersion.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_dispersion.mod' due to: qs_dftb_dispersion.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_dispersion.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_kind_types.mod qs_dispersion_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod virial_types.mod cp_para_types.mod qs_dftb_types.mod atprop_types.mod kinds.mod message_passing.mod virial_methods.mod qs_dftb_utils.mod base_hooks.mod qs_dispersion_pairpot.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'stm_images.o' due to: /build/reproducible-path/cp2k-8.1/src/stm_images.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod pw_env_types.mod pw_types.mod qs_ks_types.mod qs_rho_types.mod particle_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_realspace_grid_cube.mod cp_output_handling.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_collocate_density.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/stm_images.F stm_images.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' stm_images.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'stm_images.mod' due to: stm_images.o /build/reproducible-path/cp2k-8.1/src/stm_images.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod pw_env_types.mod pw_types.mod qs_ks_types.mod qs_rho_types.mod particle_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_realspace_grid_cube.mod cp_output_handling.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_collocate_density.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'maxwell_solver_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/maxwell_solver_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/maxwell_solver_interface.F maxwell_solver_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' maxwell_solver_interface.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'maxwell_solver_interface.mod' due to: maxwell_solver_interface.o /build/reproducible-path/cp2k-8.1/src/maxwell_solver_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy_window.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy_window.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod pw_pool_types.mod pw_env_types.mod pw_types.mod qs_subsys_types.mod qs_ks_types.mod qs_rho_types.mod particle_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_realspace_grid_cube.mod pw_methods.mod cp_blacs_env.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_collocate_density.mod iterate_matrix.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy_window.F qs_energy_window.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy_window.F90 +/build/reproducible-path/cp2k-8.1/src/qs_energy_window.F:142:15: + + 142 | stride = section_get_ivals(dft_section, "PRINT%ENERGY_WINDOWS%STRIDE") + | 1 +Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy_window.mod' due to: qs_energy_window.o /build/reproducible-path/cp2k-8.1/src/qs_energy_window.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod pw_pool_types.mod pw_env_types.mod pw_types.mod qs_subsys_types.mod qs_ks_types.mod qs_rho_types.mod particle_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_realspace_grid_cube.mod pw_methods.mod cp_blacs_env.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_collocate_density.mod iterate_matrix.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_external_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_external_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_energy_types.mod qs_force_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod pw_types.mod kinds.mod message_passing.mod string_utilities.mod fparser.mod force_fields_util.mod maxwell_solver_interface.mod base_hooks.mod cp_log_handling.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_external_potential.F qs_external_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_external_potential.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_external_potential.mod' due to: qs_external_potential.o /build/reproducible-path/cp2k-8.1/src/qs_external_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_energy_types.mod qs_force_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod pw_types.mod kinds.mod message_passing.mod string_utilities.mod fparser.mod force_fields_util.mod maxwell_solver_interface.mod base_hooks.mod cp_log_handling.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_pdos.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_pdos.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod orbital_pointers.mod cp_blacs_env.mod cp_output_handling.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod orbital_symbols.mod base_hooks.mod qs_mo_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_ot_eigensolver.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_pdos.F qs_pdos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:37:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_pdos.F90 +/build/reproducible-path/cp2k-8.1/src/qs_pdos.F:888:21: + + 888 | IF (.NOT. read_r(3, ildos)) THEN + | ^ +Warning: 'read_r.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_pdos.F:663:95: + + 663 | r_ldos_p(ildos)%ldos%pdos_array(imo) = r_ldos_p(ildos)%ldos%pdos_array(imo)*dvol + | ^ +Warning: 'dvol' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_pdos.mod' due to: qs_pdos.o /build/reproducible-path/cp2k-8.1/src/qs_pdos.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod orbital_pointers.mod cp_blacs_env.mod cp_output_handling.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod orbital_symbols.mod base_hooks.mod qs_mo_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_ot_eigensolver.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_curvy.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_curvy.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod mathlib.mod kinds.mod bibliography.mod iterate_matrix.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dm_ls_scf_curvy.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_curvy.mod' due to: dm_ls_scf_curvy.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_curvy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod mathlib.mod kinds.mod bibliography.mod iterate_matrix.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'population_analyses.o' due to: /build/reproducible-path/cp2k-8.1/src/population_analyses.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod qs_rho_types.mod scf_control_types.mod qs_environment_types.mod message_passing.mod cp_dbcsr_output.mod orbital_pointers.mod cp_blacs_env.mod particle_methods.mod machine.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/population_analyses.F population_analyses.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' population_analyses.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'population_analyses.mod' due to: population_analyses.o /build/reproducible-path/cp2k-8.1/src/population_analyses.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod qs_rho_types.mod scf_control_types.mod qs_environment_types.mod message_passing.mod cp_dbcsr_output.mod orbital_pointers.mod cp_blacs_env.mod particle_methods.mod machine.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_elf_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_elf_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_rho_types.mod pw_pool_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod mathconstants.mod kinds.mod qs_collocate_density.mod base_hooks.mod pw_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_elf_methods.F qs_elf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_elf_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_elf_methods.mod' due to: qs_elf_methods.o /build/reproducible-path/cp2k-8.1/src/qs_elf_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_rho_types.mod pw_pool_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod mathconstants.mod kinds.mod qs_collocate_density.mod base_hooks.mod pw_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_csr_write.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_neighbor_list_types.mod qs_environment_types.mod kpoint_methods.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F qs_scf_csr_write.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_csr_write.F90 +/build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F:275:65: + + 275 | CALL dbcsr_add(cmatrix, tmatrix, cone, ione) + | ^ +Warning: 'tmatrix' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F:273:60: + + 273 | CALL dbcsr_copy(cmatrix, rmatrix_nosym) + | ^ +Warning: 'rmatrix_nosym' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F:274:60: + + 274 | CALL dbcsr_copy(tmatrix, imatrix_nosym) + | ^ +Warning: 'imatrix_nosym' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F:272:68: + + 272 | CALL dbcsr_desymmetrize(imatrix, imatrix_nosym) + | ^ +Warning: 'imatrix' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F:278:70: + + 278 | CALL dbcsr_convert_dbcsr_to_csr(cmatrix, mat_csr) + | ^ +Warning: 'cmatrix' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_csr_write.mod' due to: qs_scf_csr_write.o /build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_neighbor_list_types.mod qs_environment_types.mod kpoint_methods.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dos.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dos.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod cp_control_types.mod cp_para_types.mod qs_mo_types.mod qs_environment_types.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dos.F qs_dos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dos.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dos.mod' due to: qs_dos.o /build/reproducible-path/cp2k-8.1/src/qs_dos.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod cp_control_types.mod cp_para_types.mod qs_mo_types.mod qs_environment_types.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_post_tb.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_post_tb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod atomic_kind_types.mod kpoint_types.mod pw_poisson_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod cp_result_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_subsys_types.mod qs_ks_types.mod xtb_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod particle_list_types.mod cell_types.mod qs_dftb_types.mod qs_environment_types.mod qs_scf_wfn_mix.mod molden_utils.mod stm_images.mod cp_log_handling.mod qs_energy_window.mod qs_pdos.mod pw_env_methods.mod population_analyses.mod qs_elf_methods.mod task_list_methods.mod cp_realspace_grid_cube.mod pw_methods.mod qs_scf_csr_write.mod cp_blacs_env.mod moments_utils.mod cp_output_handling.mod machine.mod mulliken.mod mathconstants.mod qs_dftb_utils.mod qs_rho_methods.mod memory_utilities.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod qs_mo_occupation.mod cp_fm_cholesky.mod physcon.mod cp_result_methods.mod qs_mo_methods.mod qs_dos.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_ot_eigensolver.mod input_constants.mod cp_array_utils.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_post_tb.F qs_scf_post_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_post_tb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_post_tb.mod' due to: qs_scf_post_tb.o /build/reproducible-path/cp2k-8.1/src/qs_scf_post_tb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod atomic_kind_types.mod kpoint_types.mod pw_poisson_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod cp_result_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_subsys_types.mod qs_ks_types.mod xtb_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod particle_list_types.mod cell_types.mod qs_dftb_types.mod qs_environment_types.mod qs_scf_wfn_mix.mod molden_utils.mod stm_images.mod cp_log_handling.mod qs_energy_window.mod qs_pdos.mod pw_env_methods.mod population_analyses.mod qs_elf_methods.mod task_list_methods.mod cp_realspace_grid_cube.mod pw_methods.mod qs_scf_csr_write.mod cp_blacs_env.mod moments_utils.mod cp_output_handling.mod machine.mod mulliken.mod mathconstants.mod qs_dftb_utils.mod qs_rho_methods.mod memory_utilities.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod qs_mo_occupation.mod cp_fm_cholesky.mod physcon.mod cp_result_methods.mod qs_mo_methods.mod qs_dos.mod cp_dbcsr_operations.mod qs_collocate_density.mod qs_ot_eigensolver.mod input_constants.mod cp_array_utils.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'basis_set_output.o' due to: /build/reproducible-path/cp2k-8.1/src/basis_set_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod qs_kind_types.mod qs_environment_types.mod cp_files.mod kinds.mod cp_log_handling.mod cp2k_info.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/basis_set_output.F basis_set_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' basis_set_output.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'basis_set_output.mod' due to: basis_set_output.o /build/reproducible-path/cp2k-8.1/src/basis_set_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod qs_kind_types.mod qs_environment_types.mod cp_files.mod kinds.mod cp_log_handling.mod cp2k_info.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_optimize_ri_basis_types.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_optimize_ri_basis_types.mod' due to: lri_optimize_ri_basis_types.o /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod mathconstants.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_optimize_ri_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod lri_optimize_ri_basis_types.mod cp_para_types.mod basis_set_types.mod qs_rho_types.mod lri_environment_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod generic_os_integrals.mod message_passing.mod cp_output_handling.mod memory_utilities.mod powell.mod kinds.mod base_hooks.mod input_constants.mod lri_environment_methods.mod lri_environment_init.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_optimize_ri_basis.mod' due to: lri_optimize_ri_basis.o /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod lri_optimize_ri_basis_types.mod cp_para_types.mod basis_set_types.mod qs_rho_types.mod lri_environment_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod generic_os_integrals.mod message_passing.mod cp_output_handling.mod memory_utilities.mod powell.mod kinds.mod base_hooks.mod input_constants.mod lri_environment_methods.mod lri_environment_init.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_dipole.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_dipole.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod particle_types.mod qs_loc_types.mod cell_types.mod cp_result_types.mod mathconstants.mod moments_utils.mod kinds.mod cp_log_handling.mod base_hooks.mod physcon.mod cp_result_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_dipole.F qs_loc_dipole.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_dipole.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_dipole.mod' due to: qs_loc_dipole.o /build/reproducible-path/cp2k-8.1/src/qs_loc_dipole.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod particle_types.mod qs_loc_types.mod cell_types.mod cp_result_types.mod mathconstants.mod moments_utils.mod kinds.mod cp_log_handling.mod base_hooks.mod physcon.mod cp_result_methods.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'voronoi_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/voronoi_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod bibliography.mod kinds.mod base_hooks.mod physcon.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/voronoi_interface.F voronoi_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' voronoi_interface.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'voronoi_interface.mod' due to: voronoi_interface.o /build/reproducible-path/cp2k-8.1/src/voronoi_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod bibliography.mod kinds.mod base_hooks.mod physcon.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'uff_vdw_radii_table.o' due to: /build/reproducible-path/cp2k-8.1/src/uff_vdw_radii_table.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'uff_vdw_radii_table.o' due to: /build/reproducible-path/cp2k-8.1/src/uff_vdw_radii_table.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/uff_vdw_radii_table.F uff_vdw_radii_table.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' uff_vdw_radii_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' uff_vdw_radii_table.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'uff_vdw_radii_table.mod' due to: uff_vdw_radii_table.o /build/reproducible-path/cp2k-8.1/src/uff_vdw_radii_table.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_resp.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_resp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod kinds.mod atomic_charges.mod message_passing.mod bibliography.mod cp_output_handling.mod base_hooks.mod mathconstants.mod machine.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod uff_vdw_radii_table.mod input_constants.mod kahan_sum.mod cp_units.mod periodic_table.mod cp_realspace_grid_cube.mod qs_collocate_density.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_resp.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_resp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod atomic_charges.mod cp_log_handling.mod message_passing.mod pw_poisson_methods.mod cp_units.mod cp_realspace_grid_cube.mod kahan_sum.mod bibliography.mod pw_methods.mod machine.mod cp_output_handling.mod mathconstants.mod periodic_table.mod memory_utilities.mod kinds.mod base_hooks.mod uff_vdw_radii_table.mod qs_collocate_density.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_resp.F qs_resp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_resp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_resp.F90 /build/reproducible-path/cp2k-8.1/src/qs_resp.F:1111:25: 1111 | IF (dist(m) < rmin + delta) not_in_range(m, 1) = .TRUE. @@ -44730,96 +44974,87 @@ 777 | REAL(KIND=dp) :: delta, dh(3, 3), dvol, r(3), rmax, rmin, & | ^ note: 'rmax' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_resp.mod' due to: qs_resp.o /build/reproducible-path/cp2k-8.1/src/qs_resp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod kinds.mod atomic_charges.mod message_passing.mod bibliography.mod cp_output_handling.mod base_hooks.mod mathconstants.mod machine.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod uff_vdw_radii_table.mod input_constants.mod kahan_sum.mod cp_units.mod periodic_table.mod cp_realspace_grid_cube.mod qs_collocate_density.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecular_dipoles.o' due to: /build/reproducible-path/cp2k-8.1/src/molecular_dipoles.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod molecule_kind_types.mod qs_loc_types.mod cell_types.mod molecule_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_output_handling.mod base_hooks.mod mathconstants.mod physcon.mod cp_log_handling.mod moments_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/molecular_dipoles.F molecular_dipoles.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' molecular_dipoles.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecular_dipoles.mod' due to: molecular_dipoles.o /build/reproducible-path/cp2k-8.1/src/molecular_dipoles.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod molecule_kind_types.mod qs_loc_types.mod cell_types.mod molecule_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_output_handling.mod base_hooks.mod mathconstants.mod physcon.mod cp_log_handling.mod moments_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecular_moments.o' due to: /build/reproducible-path/cp2k-8.1/src/molecular_moments.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod molecule_kind_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod molecule_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_moments.mod cp_log_handling.mod moments_utils.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/molecular_moments.F molecular_moments.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' molecular_moments.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecular_moments.mod' due to: molecular_moments.o /build/reproducible-path/cp2k-8.1/src/molecular_moments.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod molecule_kind_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod molecule_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_moments.mod cp_log_handling.mod moments_utils.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_resp.mod' due to: qs_resp.o /build/reproducible-path/cp2k-8.1/src/qs_resp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod atomic_charges.mod cp_log_handling.mod message_passing.mod pw_poisson_methods.mod cp_units.mod cp_realspace_grid_cube.mod kahan_sum.mod bibliography.mod pw_methods.mod machine.mod cp_output_handling.mod mathconstants.mod periodic_table.mod memory_utilities.mod kinds.mod base_hooks.mod uff_vdw_radii_table.mod qs_collocate_density.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecular_states.o' due to: /build/reproducible-path/cp2k-8.1/src/molecular_states.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_fm_types.mod molecule_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod bibliography.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod cp_log_handling.mod cp_gemm_interface.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/molecular_states.F molecular_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' molecular_states.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecular_states.mod' due to: molecular_states.o /build/reproducible-path/cp2k-8.1/src/molecular_states.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_fm_types.mod molecule_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod bibliography.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod cp_log_handling.mod cp_gemm_interface.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'wannier90.o' due to: /build/reproducible-path/cp2k-8.1/src/wannier90.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod physcon.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/wannier90.F wannier90.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' wannier90.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'wannier90.mod' due to: wannier90.o /build/reproducible-path/cp2k-8.1/src/wannier90.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod physcon.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_molecules.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_molecules.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod qs_loc_types.mod molecule_types.mod kinds.mod message_passing.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_molecules.F qs_loc_molecules.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_loc_molecules.F90 -/build/reproducible-path/cp2k-8.1/src/qs_loc_molecules.F:172:60: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gcp_method.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_gcp_types.mod qs_environment_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod virial_types.mod cell_types.mod qs_neighbor_list_types.mod atprop_types.mod kinds.mod cp_log_handling.mod virial_methods.mod base_hooks.mod message_passing.mod physcon.mod ai_overlap.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F qs_gcp_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gcp_method.F90 +/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:286:13: - 172 | i = molecule_set(imol_now)%lmi(ispin)%nstates - | ^ -Warning: 'imol_now' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_molecules.mod' due to: qs_loc_molecules.o /build/reproducible-path/cp2k-8.1/src/qs_loc_molecules.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod qs_loc_types.mod molecule_types.mod kinds.mod message_passing.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'wannier_states.o' due to: /build/reproducible-path/cp2k-8.1/src/wannier_states.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod wannier_states_types.mod cp_fm_types.mod qs_environment_types.mod cp_gemm_interface.mod kinds.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/wannier_states.F wannier_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' wannier_states.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'wannier_states.mod' due to: wannier_states.o /build/reproducible-path/cp2k-8.1/src/wannier_states.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod wannier_states_types.mod cp_fm_types.mod qs_environment_types.mod cp_gemm_interface.mod kinds.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_states.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_states.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod wannier_states_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod molecule_types.mod pw_types.mod kinds.mod molecular_dipoles.mod molecular_moments.mod molecular_states.mod cp_output_handling.mod qs_loc_molecules.mod base_hooks.mod cp_log_handling.mod cp_array_utils.mod qs_loc_methods.mod wannier_states.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_states.F qs_loc_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_loc_states.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_states.mod' due to: qs_loc_states.o /build/reproducible-path/cp2k-8.1/src/qs_loc_states.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod wannier_states_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod molecule_types.mod pw_types.mod kinds.mod molecular_dipoles.mod molecular_moments.mod molecular_states.mod cp_output_handling.mod qs_loc_molecules.mod base_hooks.mod cp_log_handling.mod cp_array_utils.mod qs_loc_methods.mod wannier_states.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy_window.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy_window.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cp_fm_types.mod pw_pool_types.mod pw_types.mod kinds.mod qs_collocate_density.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod iterate_matrix.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod pw_methods.mod cp_log_handling.mod cp_gemm_interface.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy_window.F qs_energy_window.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_energy_window.F90 -/build/reproducible-path/cp2k-8.1/src/qs_energy_window.F:142:15: + 286 | IF (use_virial) THEN + | ^ +Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:236:80: - 142 | stride = section_get_ivals(dft_section, "PRINT%ENERGY_WINDOWS%STRIDE") - | 1 -Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy_window.mod' due to: qs_energy_window.o /build/reproducible-path/cp2k-8.1/src/qs_energy_window.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cp_fm_types.mod pw_pool_types.mod pw_types.mod kinds.mod qs_collocate_density.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod iterate_matrix.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod pw_methods.mod cp_log_handling.mod cp_gemm_interface.mod cp_realspace_grid_cube.mod + 236 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) + | ^ +Warning: 'atstr.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:236:80: Warning: 'atstr.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: + + 237 | CALL virial_pair_force(atstr(:, :, jatom), -0.5_dp, fdij, rij) + | ^ +Warning: 'atstr.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: Warning: 'atstr.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: Warning: 'atstr.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: Warning: 'atstr.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: Warning: 'atstr.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: Warning: 'atstr.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:236:80: + + 236 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) + | ^ +Warning: 'atstr.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gcp_method.mod' due to: qs_gcp_method.o /build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_gcp_types.mod qs_environment_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod virial_types.mod cell_types.mod qs_neighbor_list_types.mod atprop_types.mod kinds.mod cp_log_handling.mod virial_methods.mod base_hooks.mod message_passing.mod physcon.mod ai_overlap.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_elf_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_elf_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod qs_ks_types.mod pw_types.mod qs_environment_types.mod pw_env_types.mod qs_rho_types.mod kinds.mod qs_collocate_density.mod pw_methods.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_elf_methods.F qs_elf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_elf_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_elf_methods.mod' due to: qs_elf_methods.o /build/reproducible-path/cp2k-8.1/src/qs_elf_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod qs_ks_types.mod pw_types.mod qs_environment_types.mod pw_env_types.mod qs_rho_types.mod kinds.mod qs_collocate_density.mod pw_methods.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dftb_dispersion.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dftb_dispersion.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_dispersion_types.mod particle_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_energy_types.mod cp_control_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod virial_methods.mod qs_dftb_utils.mod kinds.mod base_hooks.mod input_constants.mod qs_dispersion_pairpot.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_dispersion.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dftb_dispersion.mod' due to: qs_dftb_dispersion.o /build/reproducible-path/cp2k-8.1/src/qs_dftb_dispersion.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_dispersion_types.mod particle_types.mod atprop_types.mod qs_force_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_energy_types.mod cp_control_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod virial_methods.mod qs_dftb_utils.mod kinds.mod base_hooks.mod input_constants.mod qs_dispersion_pairpot.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_local_properties.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_local_properties.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod virial_types.mod pw_types.mod kinds.mod qs_collocate_density.mod qs_core_energies.mod cp_dbcsr_operations.mod bibliography.mod base_hooks.mod pw_methods.mod cp_log_handling.mod qs_ks_methods.mod qs_vxc.mod qs_energy_matrix_w.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_local_properties.F qs_local_properties.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_local_properties.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_local_properties.mod' due to: qs_local_properties.o /build/reproducible-path/cp2k-8.1/src/qs_local_properties.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod virial_types.mod pw_types.mod kinds.mod qs_collocate_density.mod qs_core_energies.mod cp_dbcsr_operations.mod bibliography.mod base_hooks.mod pw_methods.mod cp_log_handling.mod qs_ks_methods.mod qs_vxc.mod qs_energy_matrix_w.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'maxwell_solver_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/maxwell_solver_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/maxwell_solver_interface.F maxwell_solver_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' maxwell_solver_interface.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'maxwell_solver_interface.mod' due to: maxwell_solver_interface.o /build/reproducible-path/cp2k-8.1/src/maxwell_solver_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'commutator_rkinetic.o' due to: /build/reproducible-path/cp2k-8.1/src/commutator_rkinetic.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_contraction.mod qs_integral_utils.mod base_hooks.mod orbital_pointers.mod ai_kinetic.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/commutator_rkinetic.F commutator_rkinetic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' commutator_rkinetic.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'commutator_rkinetic.mod' due to: commutator_rkinetic.o /build/reproducible-path/cp2k-8.1/src/commutator_rkinetic.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod ai_contraction.mod qs_integral_utils.mod base_hooks.mod orbital_pointers.mod ai_kinetic.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_external_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_external_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod pw_grid_types.mod pw_types.mod qs_force_types.mod qs_kind_types.mod qs_energy_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod force_fields_util.mod fparser.mod message_passing.mod cp_realspace_grid_cube.mod kinds.mod base_hooks.mod maxwell_solver_interface.mod string_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_external_potential.F qs_external_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_external_potential.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_external_potential.mod' due to: qs_external_potential.o /build/reproducible-path/cp2k-8.1/src/qs_external_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod pw_grid_types.mod pw_types.mod qs_force_types.mod qs_kind_types.mod qs_energy_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod force_fields_util.mod fparser.mod message_passing.mod cp_realspace_grid_cube.mod kinds.mod base_hooks.mod maxwell_solver_interface.mod string_utilities.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_commutators.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_commutators.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod kinds.mod commutator_rkinetic.mod commutator_rpnl.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_commutators.F qs_commutators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_commutators.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_commutators.mod' due to: qs_commutators.o /build/reproducible-path/cp2k-8.1/src/qs_commutators.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod kinds.mod commutator_rkinetic.mod commutator_rpnl.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_external_density.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_external_density.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod cp_control_types.mod qs_rho_types.mod pw_env_types.mod realspace_grid_types.mod cell_types.mod qs_environment_types.mod cp_files.mod kinds.mod rs_pw_interface.mod base_hooks.mod gaussian_gridlevels.mod pw_methods.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_external_density.F qs_external_density.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_external_density.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_external_density.mod' due to: qs_external_density.o /build/reproducible-path/cp2k-8.1/src/qs_external_density.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod cp_control_types.mod qs_rho_types.mod pw_env_types.mod realspace_grid_types.mod cell_types.mod qs_environment_types.mod cp_files.mod kinds.mod rs_pw_interface.mod base_hooks.mod gaussian_gridlevels.mod pw_methods.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'voronoi_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/voronoi_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_subsys_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod pw_types.mod cp_para_types.mod kinds.mod message_passing.mod bibliography.mod base_hooks.mod physcon.mod cp_log_handling.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/voronoi_interface.F voronoi_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' voronoi_interface.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'voronoi_interface.mod' due to: voronoi_interface.o /build/reproducible-path/cp2k-8.1/src/voronoi_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_subsys_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod pw_types.mod cp_para_types.mod kinds.mod message_passing.mod bibliography.mod base_hooks.mod physcon.mod cp_log_handling.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy_init.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_gcp_types.mod kpoint_types.mod qs_dispersion_types.mod kg_environment_types.mod molecule_types.mod cp_para_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod lri_environment_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_gcp_method.mod qs_core_energies.mod qs_update_s_mstruct.mod xtb_matrices.mod se_core_core.mod qs_dftb_matrices.mod optimize_embedding_potential.mod se_core_matrix.mod kpoint_methods.mod ri_environment_methods.mod qs_neighbor_lists.mod qs_dftb_dispersion.mod qs_external_potential.mod qs_core_hamiltonian.mod kinds.mod base_hooks.mod qs_ks_methods.mod qs_external_density.mod cp_dbcsr_operations.mod kg_environment.mod input_constants.mod lri_environment_methods.mod efield_utils.mod qs_dispersion_pairpot.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy_init.F qs_energy_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy_init.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy_init.mod' due to: qs_energy_init.o /build/reproducible-path/cp2k-8.1/src/qs_energy_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_gcp_types.mod kpoint_types.mod qs_dispersion_types.mod kg_environment_types.mod molecule_types.mod cp_para_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod lri_environment_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_gcp_method.mod qs_core_energies.mod qs_update_s_mstruct.mod xtb_matrices.mod se_core_core.mod qs_dftb_matrices.mod optimize_embedding_potential.mod se_core_matrix.mod kpoint_methods.mod ri_environment_methods.mod qs_neighbor_lists.mod qs_dftb_dispersion.mod qs_external_potential.mod qs_core_hamiltonian.mod kinds.mod base_hooks.mod qs_ks_methods.mod qs_external_density.mod cp_dbcsr_operations.mod kg_environment.mod input_constants.mod lri_environment_methods.mod efield_utils.mod qs_dispersion_pairpot.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molden_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/molden_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod qs_mo_types.mod particle_types.mod qs_kind_types.mod cp_fm_types.mod basis_set_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod cp_dbcsr_operations.mod orbital_transformation_matrices.mod periodic_table.mod base_hooks.mod mathconstants.mod orbital_pointers.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/molden_utils.F molden_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' molden_utils.F90 -/build/reproducible-path/cp2k-8.1/src/molden_utils.F:81:67: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_buffer_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F qs_fb_buffer_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_buffer_types.F90 +/build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F:206:35: - 81 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix - | ^ -Warning: 'cmatrix.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molden_utils.mod' due to: molden_utils.o /build/reproducible-path/cp2k-8.1/src/molden_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod qs_mo_types.mod particle_types.mod qs_kind_types.mod cp_fm_types.mod basis_set_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod cp_dbcsr_operations.mod orbital_transformation_matrices.mod periodic_table.mod base_hooks.mod mathconstants.mod orbital_pointers.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xray_diffraction.o' due to: /build/reproducible-path/cp2k-8.1/src/xray_diffraction.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod cell_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_transformation_matrices.mod orbital_pointers.mod util.mod bibliography.mod base_hooks.mod mathconstants.mod physcon.mod pw_methods.mod memory_utilities.mod pw_grids.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xray_diffraction.F xray_diffraction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xray_diffraction.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xray_diffraction.mod' due to: xray_diffraction.o /build/reproducible-path/cp2k-8.1/src/xray_diffraction.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod cell_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_transformation_matrices.mod orbital_pointers.mod util.mod bibliography.mod base_hooks.mod mathconstants.mod physcon.mod pw_methods.mod memory_utilities.mod pw_grids.mod + 206 | SUBROUTINE fb_buffer_i_associate(a, b) + | ^ +Warning: 'fb_buffer_i_associate' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F:524:35: + + 524 | SUBROUTINE fb_buffer_d_associate(a, b) + | ^ +Warning: 'fb_buffer_d_associate' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_buffer_types.mod' due to: qs_fb_buffer_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_hash_table_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_hash_table_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod qs_hash_table_functions.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_hash_table_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_hash_table_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod qs_hash_table_functions.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_hash_table_types.F qs_fb_hash_table_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_hash_table_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_hash_table_types.F90 /build/reproducible-path/cp2k-8.1/src/qs_fb_hash_table_types.F:339:34: 339 | SUBROUTINE fb_hash_table_remove(hash_table, key) @@ -44835,26 +45070,11 @@ 392 | SUBROUTINE fb_hash_table_status(hash_table, nelements, nmax, prime) | ^ Warning: 'fb_hash_table_status' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_hash_table_types.mod' due to: qs_fb_hash_table_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_hash_table_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod qs_hash_table_functions.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_buffer_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F qs_fb_buffer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_buffer_types.F90 -/build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F:206:35: - - 206 | SUBROUTINE fb_buffer_i_associate(a, b) - | ^ -Warning: 'fb_buffer_i_associate' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F:524:35: - - 524 | SUBROUTINE fb_buffer_d_associate(a, b) - | ^ -Warning: 'fb_buffer_d_associate' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_buffer_types.mod' due to: qs_fb_buffer_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_buffer_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_hash_table_types.mod' due to: qs_fb_hash_table_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_hash_table_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod qs_hash_table_functions.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_matrix_data_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_matrix_data_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_hash_table_types.mod qs_fb_buffer_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_matrix_data_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_matrix_data_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_buffer_types.mod qs_fb_hash_table_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_matrix_data_types.F qs_fb_matrix_data_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_matrix_data_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_matrix_data_types.F90 /build/reproducible-path/cp2k-8.1/src/qs_fb_matrix_data_types.F:141:38: 141 | SUBROUTINE fb_matrix_data_associate(a, b) @@ -44870,11 +45090,11 @@ 336 | SUBROUTINE fb_matrix_data_status(matrix_data, nmax, nblks, nencode, blk_sizes) | ^ Warning: 'fb_matrix_data_status' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_matrix_data_types.mod' due to: qs_fb_matrix_data_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_matrix_data_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_hash_table_types.mod qs_fb_buffer_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_matrix_data_types.mod' due to: qs_fb_matrix_data_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_matrix_data_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_buffer_types.mod qs_fb_hash_table_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_com_tasks_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_com_tasks_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod cp_para_types.mod kinds.mod util.mod message_passing.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_com_tasks_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_com_tasks_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_fb_matrix_data_types.mod memory_utilities.mod kinds.mod base_hooks.mod message_passing.mod util.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_com_tasks_types.F qs_fb_com_tasks_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_com_tasks_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_com_tasks_types.F90 /build/reproducible-path/cp2k-8.1/src/qs_fb_com_tasks_types.F:159:33: 159 | SUBROUTINE fb_com_tasks_retain(com_tasks) @@ -44905,137 +45125,133 @@ 360 | SUBROUTINE fb_com_tasks_init(com_tasks) | ^ Warning: 'fb_com_tasks_init' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_com_tasks_types.mod' due to: qs_fb_com_tasks_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_com_tasks_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod cp_para_types.mod kinds.mod util.mod message_passing.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_com_tasks_types.mod' due to: qs_fb_com_tasks_types.o /build/reproducible-path/cp2k-8.1/src/qs_fb_com_tasks_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_fb_matrix_data_types.mod memory_utilities.mod kinds.mod base_hooks.mod message_passing.mod util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_atomic_matrix_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_matrix_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod cp_para_types.mod qs_fb_atomic_halo_types.mod qs_fb_com_tasks_types.mod kinds.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_atomic_matrix_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_matrix_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_com_tasks_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod qs_fb_matrix_data_types.mod kinds.mod base_hooks.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_matrix_methods.F qs_fb_atomic_matrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_atomic_matrix_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_atomic_matrix_methods.mod' due to: qs_fb_atomic_matrix_methods.o /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_matrix_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod cp_para_types.mod qs_fb_atomic_halo_types.mod qs_fb_com_tasks_types.mod kinds.mod message_passing.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_atomic_matrix_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_atomic_matrix_methods.mod' due to: qs_fb_atomic_matrix_methods.o /build/reproducible-path/cp2k-8.1/src/qs_fb_atomic_matrix_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_com_tasks_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod qs_fb_matrix_data_types.mod kinds.mod base_hooks.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_filter_matrix_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_filter_matrix_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_fb_trial_fns_types.mod qs_fb_matrix_data_types.mod cp_para_types.mod particle_types.mod qs_fb_atomic_halo_types.mod qs_fb_com_tasks_types.mod kinds.mod fermi_utils.mod message_passing.mod qs_fb_atomic_matrix_methods.mod string_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_filter_matrix_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_filter_matrix_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_com_tasks_types.mod atomic_kind_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod particle_types.mod qs_fb_trial_fns_types.mod qs_fb_matrix_data_types.mod kinds.mod string_utilities.mod base_hooks.mod fermi_utils.mod qs_fb_atomic_matrix_methods.mod message_passing.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:24:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_filter_matrix_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_filter_matrix_methods.F90 /build/reproducible-path/cp2k-8.1/src/qs_fb_filter_matrix_methods.F:1434:39: 1434 | SUBROUTINE fb_fltrmat_fermi_dirac_ne(f, eigenvals, T, ne, maxocc) | ^ Warning: 'fb_fltrmat_fermi_dirac_ne' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_filter_matrix_methods.mod' due to: qs_fb_filter_matrix_methods.o /build/reproducible-path/cp2k-8.1/src/qs_fb_filter_matrix_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_fb_trial_fns_types.mod qs_fb_matrix_data_types.mod cp_para_types.mod particle_types.mod qs_fb_atomic_halo_types.mod qs_fb_com_tasks_types.mod kinds.mod fermi_utils.mod message_passing.mod qs_fb_atomic_matrix_methods.mod string_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_filter_matrix_methods.mod' due to: qs_fb_filter_matrix_methods.o /build/reproducible-path/cp2k-8.1/src/qs_fb_filter_matrix_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_com_tasks_types.mod atomic_kind_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod particle_types.mod qs_fb_trial_fns_types.mod qs_fb_matrix_data_types.mod kinds.mod string_utilities.mod base_hooks.mod fermi_utils.mod qs_fb_atomic_matrix_methods.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_fb_env_types.mod qs_kind_types.mod qs_fb_trial_fns_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod qs_fb_atomic_halo_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod string_utilities.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_mo_occupation.mod orbital_pointers.mod cp_fm_basic_linalg.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod qs_fb_filter_matrix_methods.mod cp_log_handling.mod qs_diis.mod input_constants.mod cp_gemm_interface.mod cp_fm_cholesky.mod qs_integral_utils.mod cp_units.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_fb_atomic_halo_types.mod qs_fb_env_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod qs_fb_trial_fns_types.mod basis_set_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod cp_units.mod qs_fb_filter_matrix_methods.mod orbital_pointers.mod cp_blacs_env.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_mo_occupation.mod cp_fm_cholesky.mod qs_matrix_pools.mod qs_mo_methods.mod cp_dbcsr_operations.mod string_utilities.mod qs_integral_utils.mod input_constants.mod qs_diis.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_env_methods.F qs_fb_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_env_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_env_methods.mod' due to: qs_fb_env_methods.o /build/reproducible-path/cp2k-8.1/src/qs_fb_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_fb_env_types.mod qs_kind_types.mod qs_fb_trial_fns_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod qs_fb_atomic_halo_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod string_utilities.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_mo_occupation.mod orbital_pointers.mod cp_fm_basic_linalg.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod qs_fb_filter_matrix_methods.mod cp_log_handling.mod qs_diis.mod input_constants.mod cp_gemm_interface.mod cp_fm_cholesky.mod qs_integral_utils.mod cp_units.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_env_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_env_methods.mod' due to: qs_fb_env_methods.o /build/reproducible-path/cp2k-8.1/src/qs_fb_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_fb_atomic_halo_types.mod qs_fb_env_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod qs_fb_trial_fns_types.mod basis_set_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod cp_units.mod qs_fb_filter_matrix_methods.mod orbital_pointers.mod cp_blacs_env.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_mo_occupation.mod cp_fm_cholesky.mod qs_matrix_pools.mod qs_mo_methods.mod cp_dbcsr_operations.mod string_utilities.mod qs_integral_utils.mod input_constants.mod qs_diis.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_distribution_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_distribution_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod particle_types.mod qs_fb_env_types.mod cell_types.mod qs_environment_types.mod qs_fb_atomic_halo_types.mod qs_kind_types.mod kinds.mod util.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_restart.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_restart.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod xas_env_types.mod cp_para_types.mod qs_ks_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod qs_mixing_utils.mod cp_output_handling.mod qs_rho_methods.mod cp_gemm_interface.mod qs_mo_io.mod kinds.mod base_hooks.mod qs_mo_occupation.mod qs_mo_methods.mod cp_files.mod cp_dbcsr_operations.mod string_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_restart.F xas_restart.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_restart.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_restart.mod' due to: xas_restart.o /build/reproducible-path/cp2k-8.1/src/xas_restart.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod xas_env_types.mod cp_para_types.mod qs_ks_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod qs_mixing_utils.mod cp_output_handling.mod qs_rho_methods.mod cp_gemm_interface.mod qs_mo_io.mod kinds.mod base_hooks.mod qs_mo_occupation.mod qs_mo_methods.mod cp_files.mod cp_dbcsr_operations.mod string_utilities.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_fb_distribution_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_fb_distribution_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod qs_fb_env_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod util.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_fb_distribution_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_distribution_methods.F90 /build/reproducible-path/cp2k-8.1/src/qs_fb_distribution_methods.F:766:37: 766 | SUBROUTINE fb_distribution_move_el(dist_from, element, dist_to) | ^ Warning: 'fb_distribution_move_el' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_distribution_methods.mod' due to: qs_fb_distribution_methods.o /build/reproducible-path/cp2k-8.1/src/qs_fb_distribution_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod particle_types.mod qs_fb_env_types.mod cell_types.mod qs_environment_types.mod qs_fb_atomic_halo_types.mod qs_kind_types.mod kinds.mod util.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_restart.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_restart.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xas_env_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_scf_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod message_passing.mod string_utilities.mod cp_dbcsr_operations.mod qs_mo_occupation.mod qs_mixing_utils.mod cp_files.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod base_hooks.mod qs_mo_io.mod cp_log_handling.mod cp_gemm_interface.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_restart.F xas_restart.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_restart.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_restart.mod' due to: xas_restart.o /build/reproducible-path/cp2k-8.1/src/xas_restart.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 xas_env_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_scf_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod message_passing.mod string_utilities.mod cp_dbcsr_operations.mod qs_mo_occupation.mod qs_mixing_utils.mod cp_files.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod base_hooks.mod qs_mo_io.mod cp_log_handling.mod cp_gemm_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_fb_distribution_methods.mod' due to: qs_fb_distribution_methods.o /build/reproducible-path/cp2k-8.1/src/qs_fb_distribution_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod qs_fb_env_types.mod qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod util.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_initialization.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_initialization.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_env_types.mod qs_kind_types.mod xas_env_types.mod qs_rho_types.mod cp_fm_pool_types.mod qs_density_mixing_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod qs_cdft_opt_types.mod qs_block_davidson_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_scf_diagonalization.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_mo_occupation.mod qs_outer_scf.mod qs_mixing_utils.mod qs_fb_env_methods.mod cp_fm_basic_linalg.mod qs_initial_guess.mod qs_rho_methods.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_scf_lanczos.mod qs_matrix_pools.mod qs_wf_history_methods.mod cp_log_handling.mod input_constants.mod qmmm_image_charge.mod qs_fb_distribution_methods.mod cp_fm_cholesky.mod xas_restart.mod cp_dbcsr_output.mod qs_scf_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_initialization.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_initialization.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_fb_env_types.mod qs_block_davidson_types.mod cp_fm_types.mod qs_scf_types.mod qs_cdft_opt_types.mod qs_mo_types.mod xas_env_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_kind_types.mod qs_ks_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_density_mixing_types.mod qs_scf_output.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_scf_diagonalization.mod qs_mixing_utils.mod cp_dbcsr_output.mod qs_fb_env_methods.mod qs_initial_guess.mod xas_restart.mod cp_output_handling.mod qs_rho_methods.mod qs_wf_history_methods.mod cp_fm_struct.mod kinds.mod base_hooks.mod qmmm_image_charge.mod qs_fb_distribution_methods.mod qs_mo_occupation.mod cp_fm_cholesky.mod qs_matrix_pools.mod qs_scf_lanczos.mod cp_dbcsr_operations.mod input_constants.mod qs_outer_scf.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_initialization.F qs_scf_initialization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_initialization.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_initialization.mod' due to: qs_scf_initialization.o /build/reproducible-path/cp2k-8.1/src/qs_scf_initialization.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_fb_env_types.mod qs_kind_types.mod xas_env_types.mod qs_rho_types.mod cp_fm_pool_types.mod qs_density_mixing_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod qs_cdft_opt_types.mod qs_block_davidson_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_scf_diagonalization.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_mo_occupation.mod qs_outer_scf.mod qs_mixing_utils.mod qs_fb_env_methods.mod cp_fm_basic_linalg.mod qs_initial_guess.mod qs_rho_methods.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_scf_lanczos.mod qs_matrix_pools.mod qs_wf_history_methods.mod cp_log_handling.mod input_constants.mod qmmm_image_charge.mod qs_fb_distribution_methods.mod cp_fm_cholesky.mod xas_restart.mod cp_dbcsr_output.mod qs_scf_output.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_initialization.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_initialization.mod' due to: qs_scf_initialization.o /build/reproducible-path/cp2k-8.1/src/qs_scf_initialization.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_fb_env_types.mod qs_block_davidson_types.mod cp_fm_types.mod qs_scf_types.mod qs_cdft_opt_types.mod qs_mo_types.mod xas_env_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_kind_types.mod qs_ks_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_density_mixing_types.mod qs_scf_output.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_scf_diagonalization.mod qs_mixing_utils.mod cp_dbcsr_output.mod qs_fb_env_methods.mod qs_initial_guess.mod xas_restart.mod cp_output_handling.mod qs_rho_methods.mod qs_wf_history_methods.mod cp_fm_struct.mod kinds.mod base_hooks.mod qmmm_image_charge.mod qs_fb_distribution_methods.mod qs_mo_occupation.mod cp_fm_cholesky.mod qs_matrix_pools.mod qs_scf_lanczos.mod cp_dbcsr_operations.mod input_constants.mod qs_outer_scf.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_embedding_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod force_env_types.mod qs_kind_types.mod xc_rho_cflags_types.mod embed_types.mod xc_rho_set_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod pw_poisson_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod mixed_environment_utils.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_files.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_kinetic.mod mathconstants.mod pw_poisson_methods.mod xc.mod pw_methods.mod cp_log_handling.mod input_constants.mod cp_gemm_interface.mod qs_integrate_potential_single.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F optimize_embedding_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' optimize_embedding_potential.F90 -/build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F:1977:32: - - 1977 | SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) - | ^ -Warning: 'inv_hessian_update' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F:2085:28: - - 2085 | SUBROUTINE Hessian_update(grad, prev_grad, step, prev_Hess, Hess) - | ^ -Warning: 'hessian_update' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F:3430:40: - - 3430 | CALL pw_release(pot_beta%pw) - | ^ -Warning: 'pot_beta' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_embedding_potential.mod' due to: optimize_embedding_potential.o /build/reproducible-path/cp2k-8.1/src/optimize_embedding_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod force_env_types.mod qs_kind_types.mod xc_rho_cflags_types.mod embed_types.mod xc_rho_set_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod pw_poisson_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod mixed_environment_utils.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_files.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_kinetic.mod mathconstants.mod pw_poisson_methods.mod xc.mod pw_methods.mod cp_log_handling.mod input_constants.mod cp_gemm_interface.mod qs_integrate_potential_single.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gamma2kp.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gamma2kp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_scf_types.mod kpoint_types.mod cp_para_types.mod cp_subsys_types.mod qs_environment_types.mod qs_energy_init.mod kinds.mod base_hooks.mod qs_environment.mod qs_scf_initialization.mod qs_ks_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gamma2kp.F qs_gamma2kp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gamma2kp.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gamma2kp.mod' due to: qs_gamma2kp.o /build/reproducible-path/cp2k-8.1/src/qs_gamma2kp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_scf_types.mod kpoint_types.mod cp_para_types.mod cp_subsys_types.mod qs_environment_types.mod qs_energy_init.mod kinds.mod base_hooks.mod qs_environment.mod qs_scf_initialization.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gcp_method.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_environment_types.mod atprop_types.mod qs_kind_types.mod qs_gcp_types.mod kinds.mod ai_overlap.mod message_passing.mod cp_log_handling.mod virial_methods.mod base_hooks.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F qs_gcp_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_gcp_method.F90 -/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:286:13: - - 286 | IF (use_virial) THEN - | ^ -Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:236:80: - - 236 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) - | ^ -Warning: 'atstr.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:236:80: Warning: 'atstr.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: - - 237 | CALL virial_pair_force(atstr(:, :, jatom), -0.5_dp, fdij, rij) - | ^ -Warning: 'atstr.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: Warning: 'atstr.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: Warning: 'atstr.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: Warning: 'atstr.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: Warning: 'atstr.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:237:80: Warning: 'atstr.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F:236:80: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_wannier90.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_wannier90.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod cp_fm_pool_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod qs_scf_diagonalization.mod message_passing.mod qs_moments.mod kpoint_methods.mod cp_dbcsr_cp2k_link.mod wannier90.mod cp_blacs_env.mod machine.mod cp_para_env.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_gamma2kp.mod physcon.mod qs_matrix_pools.mod cp_files.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_wannier90.F qs_wannier90.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_wannier90.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_wannier90.mod' due to: qs_wannier90.o /build/reproducible-path/cp2k-8.1/src/qs_wannier90.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod cp_fm_pool_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod qs_scf_diagonalization.mod message_passing.mod qs_moments.mod kpoint_methods.mod cp_dbcsr_cp2k_link.mod wannier90.mod cp_blacs_env.mod machine.mod cp_para_env.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_gamma2kp.mod physcon.mod qs_matrix_pools.mod cp_files.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mao_wfn_analysis.o' due to: /build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod mao_optimizer.mod cp_dbcsr_cp2k_link.mod mathlib.mod bibliography.mod qs_neighbor_lists.mod cp_blacs_env.mod particle_methods.mod qs_overlap.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod mao_methods.mod cp_dbcsr_operations.mod iterate_matrix.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F mao_wfn_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mao_wfn_analysis.F90 +/build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F:106:85: - 236 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) - | ^ -Warning: 'atstr.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gcp_method.mod' due to: qs_gcp_method.o /build/reproducible-path/cp2k-8.1/src/qs_gcp_method.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod qs_neighbor_list_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_environment_types.mod atprop_types.mod qs_kind_types.mod qs_gcp_types.mod kinds.mod ai_overlap.mod message_passing.mod cp_log_handling.mod virial_methods.mod base_hooks.mod physcon.mod + 106 | qmatbc, raq, sab, selnABC, sinv, & + | ^ +Warning: 'selnabc.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F:106:85: Warning: 'selnabc.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F:106:85: Warning: 'selnabc.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mao_wfn_analysis.mod' due to: mao_wfn_analysis.o /build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod mao_optimizer.mod cp_dbcsr_cp2k_link.mod mathlib.mod bibliography.mod qs_neighbor_lists.mod cp_blacs_env.mod particle_methods.mod qs_overlap.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod mao_methods.mod cp_dbcsr_operations.mod iterate_matrix.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_external_density.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_external_density.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod realspace_grid_types.mod pw_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod pw_env_types.mod qs_rho_types.mod kinds.mod cp_files.mod message_passing.mod pw_methods.mod rs_pw_interface.mod base_hooks.mod gaussian_gridlevels.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_external_density.F qs_external_density.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_external_density.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_external_density.mod' due to: qs_external_density.o /build/reproducible-path/cp2k-8.1/src/qs_external_density.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod realspace_grid_types.mod pw_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod pw_env_types.mod qs_rho_types.mod kinds.mod cp_files.mod message_passing.mod pw_methods.mod rs_pw_interface.mod base_hooks.mod gaussian_gridlevels.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_epr_hyp.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_epr_hyp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod util.mod qs_grid_atom.mod pw_methods.mod cp_output_handling.mod mathconstants.mod periodic_table.mod kinds.mod base_hooks.mod physcon.mod qs_harmonics_atom.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_epr_hyp.F qs_epr_hyp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_epr_hyp.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_epr_hyp.mod' due to: qs_epr_hyp.o /build/reproducible-path/cp2k-8.1/src/qs_epr_hyp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod util.mod qs_grid_atom.mod pw_methods.mod cp_output_handling.mod mathconstants.mod periodic_table.mod kinds.mod base_hooks.mod physcon.mod qs_harmonics_atom.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy_init.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_dispersion_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_gcp_types.mod input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod molecule_types.mod cp_para_types.mod lri_environment_types.mod kg_environment_types.mod kinds.mod se_core_matrix.mod qs_core_energies.mod lri_environment_methods.mod cp_dbcsr_operations.mod kg_environment.mod se_core_core.mod ri_environment_methods.mod qs_dftb_dispersion.mod qs_core_hamiltonian.mod efield_utils.mod qs_external_potential.mod qs_neighbor_lists.mod base_hooks.mod optimize_embedding_potential.mod xtb_matrices.mod qs_dispersion_pairpot.mod input_constants.mod qs_gcp_method.mod qs_ks_methods.mod kpoint_methods.mod qs_external_density.mod qs_update_s_mstruct.mod qs_dftb_matrices.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy_init.F qs_energy_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_energy_init.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy_init.mod' due to: qs_energy_init.o /build/reproducible-path/cp2k-8.1/src/qs_energy_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_dispersion_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_gcp_types.mod input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod molecule_types.mod cp_para_types.mod lri_environment_types.mod kg_environment_types.mod kinds.mod se_core_matrix.mod qs_core_energies.mod lri_environment_methods.mod cp_dbcsr_operations.mod kg_environment.mod se_core_core.mod ri_environment_methods.mod qs_dftb_dispersion.mod qs_core_hamiltonian.mod efield_utils.mod qs_external_potential.mod qs_neighbor_lists.mod base_hooks.mod optimize_embedding_potential.mod xtb_matrices.mod qs_dispersion_pairpot.mod input_constants.mod qs_gcp_method.mod qs_ks_methods.mod kpoint_methods.mod qs_external_density.mod qs_update_s_mstruct.mod qs_dftb_matrices.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'wannier_states.o' due to: /build/reproducible-path/cp2k-8.1/src/wannier_states.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_para_types.mod qs_environment_types.mod wannier_states_types.mod cp_units.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/wannier_states.F wannier_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' wannier_states.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'wannier_states.mod' due to: wannier_states.o /build/reproducible-path/cp2k-8.1/src/wannier_states.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_para_types.mod qs_environment_types.mod wannier_states_types.mod cp_units.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_gamma2kp.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_gamma2kp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_subsys_types.mod input_section_types.mod cp_para_types.mod kpoint_types.mod qs_environment_types.mod kinds.mod qs_environment.mod qs_ks_methods.mod base_hooks.mod qs_scf_initialization.mod qs_energy_init.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_gamma2kp.F qs_gamma2kp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_gamma2kp.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_gamma2kp.mod' due to: qs_gamma2kp.o /build/reproducible-path/cp2k-8.1/src/qs_gamma2kp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_subsys_types.mod input_section_types.mod cp_para_types.mod kpoint_types.mod qs_environment_types.mod kinds.mod qs_environment.mod qs_ks_methods.mod base_hooks.mod qs_scf_initialization.mod qs_energy_init.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecular_dipoles.o' due to: /build/reproducible-path/cp2k-8.1/src/molecular_dipoles.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod particle_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod distribution_1d_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod moments_utils.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/molecular_dipoles.F molecular_dipoles.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:38:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecular_dipoles.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecular_dipoles.mod' due to: molecular_dipoles.o /build/reproducible-path/cp2k-8.1/src/molecular_dipoles.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod particle_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod distribution_1d_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod moments_utils.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'wannier90.o' due to: /build/reproducible-path/cp2k-8.1/src/wannier90.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/wannier90.F wannier90.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' wannier90.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'wannier90.mod' due to: wannier90.o /build/reproducible-path/cp2k-8.1/src/wannier90.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecular_moments.o' due to: /build/reproducible-path/cp2k-8.1/src/molecular_moments.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod particle_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod distribution_1d_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod qs_moments.mod orbital_pointers.mod moments_utils.mod cp_output_handling.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/molecular_moments.F molecular_moments.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecular_moments.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecular_moments.mod' due to: molecular_moments.o /build/reproducible-path/cp2k-8.1/src/molecular_moments.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod particle_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod distribution_1d_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod qs_moments.mod orbital_pointers.mod moments_utils.mod cp_output_handling.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_wannier90.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_wannier90.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_pool_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod qs_scf_diagonalization.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod qs_gamma2kp.mod cp_files.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_moments.mod machine.mod qs_matrix_pools.mod physcon.mod cp_para_env.mod cp_log_handling.mod wannier90.mod kpoint_methods.mod cp_gemm_interface.mod cp_dbcsr_cp2k_link.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_wannier90.F qs_wannier90.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_wannier90.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_wannier90.mod' due to: qs_wannier90.o /build/reproducible-path/cp2k-8.1/src/qs_wannier90.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_pool_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod qs_scf_diagonalization.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod qs_gamma2kp.mod cp_files.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_moments.mod machine.mod qs_matrix_pools.mod physcon.mod cp_para_env.mod cp_log_handling.mod wannier90.mod kpoint_methods.mod cp_gemm_interface.mod cp_dbcsr_cp2k_link.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'molecular_states.o' due to: /build/reproducible-path/cp2k-8.1/src/molecular_states.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod particle_types.mod pw_env_types.mod molecule_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_realspace_grid_cube.mod bibliography.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_collocate_density.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/molecular_states.F molecular_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecular_states.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'molecular_states.mod' due to: molecular_states.o /build/reproducible-path/cp2k-8.1/src/molecular_states.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod particle_types.mod pw_env_types.mod molecule_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_realspace_grid_cube.mod bibliography.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod qs_collocate_density.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_dos.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_dos.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_control_types.mod kpoint_types.mod qs_environment_types.mod qs_mo_types.mod kinds.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_dos.F qs_dos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_dos.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_dos.mod' due to: qs_dos.o /build/reproducible-path/cp2k-8.1/src/qs_dos.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_control_types.mod kpoint_types.mod qs_environment_types.mod qs_mo_types.mod kinds.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_molecules.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_molecules.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod cp_para_types.mod particle_types.mod qs_loc_types.mod cell_types.mod molecule_kind_types.mod distribution_1d_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_molecules.F qs_loc_molecules.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_molecules.F90 +/build/reproducible-path/cp2k-8.1/src/qs_loc_molecules.F:172:60: + + 172 | i = molecule_set(imol_now)%lmi(ispin)%nstates + | ^ +Warning: 'imol_now' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_molecules.mod' due to: qs_loc_molecules.o /build/reproducible-path/cp2k-8.1/src/qs_loc_molecules.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod cp_para_types.mod particle_types.mod qs_loc_types.mod cell_types.mod molecule_kind_types.mod distribution_1d_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_epr_hyp.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_epr_hyp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod cell_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod message_passing.mod qs_harmonics_atom.mod util.mod cp_output_handling.mod base_hooks.mod mathconstants.mod physcon.mod pw_methods.mod cp_log_handling.mod periodic_table.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_epr_hyp.F qs_epr_hyp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_epr_hyp.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_epr_hyp.mod' due to: qs_epr_hyp.o /build/reproducible-path/cp2k-8.1/src/qs_epr_hyp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod cell_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod message_passing.mod qs_harmonics_atom.mod util.mod cp_output_handling.mod base_hooks.mod mathconstants.mod physcon.mod pw_methods.mod cp_log_handling.mod periodic_table.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_states.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_states.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod pw_types.mod molecule_types.mod wannier_states_types.mod cp_control_types.mod particle_list_types.mod qs_environment_types.mod wannier_states.mod cp_log_handling.mod molecular_dipoles.mod cp_output_handling.mod kinds.mod base_hooks.mod molecular_moments.mod molecular_states.mod qs_loc_molecules.mod cp_array_utils.mod qs_loc_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_states.F qs_loc_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_states.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_states.mod' due to: qs_loc_states.o /build/reproducible-path/cp2k-8.1/src/qs_loc_states.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod pw_types.mod molecule_types.mod wannier_states_types.mod cp_control_types.mod particle_list_types.mod qs_environment_types.mod wannier_states.mod cp_log_handling.mod molecular_dipoles.mod cp_output_handling.mod kinds.mod base_hooks.mod molecular_moments.mod molecular_states.mod qs_loc_molecules.mod cp_array_utils.mod qs_loc_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'commutator_rkinetic.o' due to: /build/reproducible-path/cp2k-8.1/src/commutator_rkinetic.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod qs_neighbor_list_types.mod ai_contraction.mod kinds.mod ai_kinetic.mod base_hooks.mod qs_integral_utils.mod orbital_pointers.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/commutator_rkinetic.F commutator_rkinetic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' commutator_rkinetic.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'commutator_rkinetic.mod' due to: commutator_rkinetic.o /build/reproducible-path/cp2k-8.1/src/commutator_rkinetic.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod qs_neighbor_list_types.mod ai_contraction.mod kinds.mod ai_kinetic.mod base_hooks.mod qs_integral_utils.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_commutators.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_commutators.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_kind_types.mod qs_neighbor_list_types.mod qs_environment_types.mod commutator_rkinetic.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod commutator_rpnl.mod cp_dbcsr_cp2k_link.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_commutators.F qs_commutators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_commutators.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_commutators.mod' due to: qs_commutators.o /build/reproducible-path/cp2k-8.1/src/qs_commutators.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_kind_types.mod qs_neighbor_list_types.mod qs_environment_types.mod commutator_rkinetic.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod commutator_rpnl.mod cp_dbcsr_cp2k_link.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xray_diffraction.o' due to: /build/reproducible-path/cp2k-8.1/src/xray_diffraction.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod paw_proj_set_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod pw_grids.mod message_passing.mod util.mod pw_methods.mod bibliography.mod orbital_pointers.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod physcon.mod orbital_transformation_matrices.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xray_diffraction.F xray_diffraction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xray_diffraction.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xray_diffraction.mod' due to: xray_diffraction.o /build/reproducible-path/cp2k-8.1/src/xray_diffraction.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod paw_proj_set_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod pw_grids.mod message_passing.mod util.mod pw_methods.mod bibliography.mod orbital_pointers.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod physcon.mod orbital_transformation_matrices.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_local_properties.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_local_properties.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_pool_types.mod pw_env_types.mod pw_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod qs_core_energies.mod qs_energy_matrix_w.mod pw_methods.mod mathlib.mod bibliography.mod kinds.mod qs_vxc.mod base_hooks.mod qs_ks_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_local_properties.F qs_local_properties.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_local_properties.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_local_properties.mod' due to: qs_local_properties.o /build/reproducible-path/cp2k-8.1/src/qs_local_properties.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_pool_types.mod pw_env_types.mod pw_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod qs_core_energies.mod qs_energy_matrix_w.mod pw_methods.mod mathlib.mod bibliography.mod kinds.mod qs_vxc.mod base_hooks.mod qs_ks_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_chargemol.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_chargemol.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_subsys_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod basis_set_types.mod kinds.mod cp_dbcsr_operations.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_files.mod cp_output_handling.mod base_hooks.mod machine.mod cp_log_handling.mod orbital_symbols.mod periodic_table.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_chargemol.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_chargemol.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod qs_force_types.mod qs_kind_types.mod qs_subsys_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod orbital_pointers.mod machine.mod cp_output_handling.mod periodic_table.mod orbital_symbols.mod kinds.mod base_hooks.mod orbital_transformation_matrices.mod cp_files.mod cp_dbcsr_operations.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_chargemol.F qs_chargemol.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_chargemol.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_chargemol.F90 /build/reproducible-path/cp2k-8.1/src/qs_chargemol.F:163:83: 163 | extension=".wfx", my_local=.FALSE.) @@ -45066,125 +45282,11 @@ 583 | mos(roks_high)%mo_set%occupation_numbers(imo) | ^ Warning: 'roks_high' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_chargemol.mod' due to: qs_chargemol.o /build/reproducible-path/cp2k-8.1/src/qs_chargemol.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_subsys_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod basis_set_types.mod kinds.mod cp_dbcsr_operations.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_files.mod cp_output_handling.mod base_hooks.mod machine.mod cp_log_handling.mod orbital_symbols.mod periodic_table.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_csr_write.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_environment_types.mod kinds.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod kpoint_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F qs_scf_csr_write.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_csr_write.F90 -/build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F:275:65: - - 275 | CALL dbcsr_add(cmatrix, tmatrix, cone, ione) - | ^ -Warning: 'tmatrix' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F:273:60: - - 273 | CALL dbcsr_copy(cmatrix, rmatrix_nosym) - | ^ -Warning: 'rmatrix_nosym' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F:274:60: - - 274 | CALL dbcsr_copy(tmatrix, imatrix_nosym) - | ^ -Warning: 'imatrix_nosym' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F:272:68: - - 272 | CALL dbcsr_desymmetrize(imatrix, imatrix_nosym) - | ^ -Warning: 'imatrix' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F:278:70: - - 278 | CALL dbcsr_convert_dbcsr_to_csr(cmatrix, mat_csr) - | ^ -Warning: 'cmatrix' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_csr_write.mod' due to: qs_scf_csr_write.o /build/reproducible-path/cp2k-8.1/src/qs_scf_csr_write.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_environment_types.mod kinds.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod kpoint_methods.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'population_analyses.o' due to: /build/reproducible-path/cp2k-8.1/src/population_analyses.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod qs_environment_types.mod cp_fm_types.mod scf_control_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_fm_struct.mod base_hooks.mod machine.mod particle_methods.mod cp_gemm_interface.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/population_analyses.F population_analyses.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' population_analyses.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'population_analyses.mod' due to: population_analyses.o /build/reproducible-path/cp2k-8.1/src/population_analyses.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod qs_environment_types.mod cp_fm_types.mod scf_control_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_fm_struct.mod base_hooks.mod machine.mod particle_methods.mod cp_gemm_interface.mod cp_dbcsr_output.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_wfn_mix.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_wfn_mix.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod input_section_types.mod qs_mo_types.mod particle_types.mod cp_fm_types.mod qs_kind_types.mod kinds.mod qs_mo_methods.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod cp_fm_basic_linalg.mod qs_mo_io.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:25:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_wfn_mix.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_wfn_mix.mod' due to: qs_scf_wfn_mix.o /build/reproducible-path/cp2k-8.1/src/qs_scf_wfn_mix.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod input_section_types.mod qs_mo_types.mod particle_types.mod cp_fm_types.mod qs_kind_types.mod kinds.mod qs_mo_methods.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod cp_fm_basic_linalg.mod qs_mo_io.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mao_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/mao_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_container_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod kpoint_types.mod cp_fm_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod iterate_matrix.mod cp_fm_struct.mod base_hooks.mod lapack.mod qs_interactions.mod input_constants.mod kpoint_methods.mod cp_dbcsr_cp2k_link.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mao_methods.F mao_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mao_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mao_methods.mod' due to: mao_methods.o /build/reproducible-path/cp2k-8.1/src/mao_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_container_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod kpoint_types.mod cp_fm_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod iterate_matrix.mod cp_fm_struct.mod base_hooks.mod lapack.mod qs_interactions.mod input_constants.mod kpoint_methods.mod cp_dbcsr_cp2k_link.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mao_optimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/mao_optimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mao_methods.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mao_optimizer.F mao_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mao_optimizer.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mao_optimizer.mod' due to: mao_optimizer.o /build/reproducible-path/cp2k-8.1/src/mao_optimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mao_methods.mod cp_dbcsr_operations.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mao_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/mao_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_neighbor_list_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod qs_rho_types.mod basis_set_types.mod kinds.mod mao_optimizer.mod particle_methods.mod qs_neighbor_lists.mod mao_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_overlap.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mao_basis.F mao_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mao_basis.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mao_basis.mod' due to: mao_basis.o /build/reproducible-path/cp2k-8.1/src/mao_basis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_neighbor_list_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod qs_rho_types.mod basis_set_types.mod kinds.mod mao_optimizer.mod particle_methods.mod qs_neighbor_lists.mod mao_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_overlap.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minbas_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/minbas_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod lapack.mod particle_methods.mod mao_basis.mod cp_gemm_interface.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minbas_methods.F minbas_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' minbas_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minbas_methods.mod' due to: minbas_methods.o /build/reproducible-path/cp2k-8.1/src/minbas_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod lapack.mod particle_methods.mod mao_basis.mod cp_gemm_interface.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minbas_wfn_analysis.o' due to: /build/reproducible-path/cp2k-8.1/src/minbas_wfn_analysis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_collocate_density.mod atomic_charges.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod molden_utils.mod cp_fm_basic_linalg.mod bibliography.mod iterate_matrix.mod mulliken.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod particle_methods.mod cp_log_handling.mod cp_gemm_interface.mod minbas_methods.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' minbas_wfn_analysis.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minbas_wfn_analysis.mod' due to: minbas_wfn_analysis.o /build/reproducible-path/cp2k-8.1/src/minbas_wfn_analysis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_collocate_density.mod atomic_charges.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod molden_utils.mod cp_fm_basic_linalg.mod bibliography.mod iterate_matrix.mod mulliken.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod particle_methods.mod cp_log_handling.mod cp_gemm_interface.mod minbas_methods.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mao_wfn_analysis.o' due to: /build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod cp_para_types.mod basis_set_types.mod kinds.mod mao_optimizer.mod message_passing.mod cp_blacs_env.mod mao_methods.mod cp_dbcsr_operations.mod bibliography.mod iterate_matrix.mod qs_neighbor_lists.mod cp_dbcsr_cholesky.mod base_hooks.mod particle_methods.mod qs_overlap.mod cp_dbcsr_cp2k_link.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F mao_wfn_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mao_wfn_analysis.F90 -/build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F:106:85: - - 106 | qmatbc, raq, sab, selnABC, sinv, & - | ^ -Warning: 'selnabc.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F:106:85: Warning: 'selnabc.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F:106:85: Warning: 'selnabc.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mao_wfn_analysis.mod' due to: mao_wfn_analysis.o /build/reproducible-path/cp2k-8.1/src/mao_wfn_analysis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod cp_para_types.mod basis_set_types.mod kinds.mod mao_optimizer.mod message_passing.mod cp_blacs_env.mod mao_methods.mod cp_dbcsr_operations.mod bibliography.mod iterate_matrix.mod qs_neighbor_lists.mod cp_dbcsr_cholesky.mod base_hooks.mod particle_methods.mod qs_overlap.mod cp_dbcsr_cp2k_link.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eigenvalueproblems.mod' due to: eigenvalueproblems.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_electric_field_gradient.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_electric_field_gradient.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod eigenvalueproblems.mod qs_harmonics_atom.mod util.mod cp_output_handling.mod base_hooks.mod mathconstants.mod physcon.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod qs_ks_methods.mod pw_spline_utils.mod qs_gapw_densities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_electric_field_gradient.F90 -/build/reproducible-path/cp2k-8.1/src/qs_electric_field_gradient.F:106:66: - - 106 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: efg_pw, efg_tensor - | ^ -Warning: 'efg_pw.dim[2].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_electric_field_gradient.mod' due to: qs_electric_field_gradient.o /build/reproducible-path/cp2k-8.1/src/qs_electric_field_gradient.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod paw_proj_set_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod eigenvalueproblems.mod qs_harmonics_atom.mod util.mod cp_output_handling.mod base_hooks.mod mathconstants.mod physcon.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod qs_ks_methods.mod pw_spline_utils.mod qs_gapw_densities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'stm_images.o' due to: /build/reproducible-path/cp2k-8.1/src/stm_images.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod pw_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod cp_log_handling.mod cp_array_utils.mod cp_realspace_grid_cube.mod qs_collocate_density.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/stm_images.F stm_images.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' stm_images.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'stm_images.mod' due to: stm_images.o /build/reproducible-path/cp2k-8.1/src/stm_images.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod pw_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod cp_log_handling.mod cp_array_utils.mod cp_realspace_grid_cube.mod qs_collocate_density.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_loc_dipole.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_loc_dipole.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod particle_types.mod cp_control_types.mod cell_types.mod qs_loc_types.mod qs_environment_types.mod qs_kind_types.mod cp_result_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod moments_utils.mod cp_result_methods.mod mathconstants.mod base_hooks.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_loc_dipole.F qs_loc_dipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_loc_dipole.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_loc_dipole.mod' due to: qs_loc_dipole.o /build/reproducible-path/cp2k-8.1/src/qs_loc_dipole.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod particle_types.mod cp_control_types.mod cell_types.mod qs_loc_types.mod qs_environment_types.mod qs_kind_types.mod cp_result_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod moments_utils.mod cp_result_methods.mod mathconstants.mod base_hooks.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_pdos.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_pdos.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod preconditioner_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod cp_log_handling.mod memory_utilities.mod qs_ot_eigensolver.mod cp_gemm_interface.mod orbital_symbols.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_pdos.F qs_pdos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_pdos.F90 -/build/reproducible-path/cp2k-8.1/src/qs_pdos.F:888:21: - - 888 | IF (.NOT. read_r(3, ildos)) THEN - | ^ -Warning: 'read_r.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/qs_pdos.F:663:95: - - 663 | r_ldos_p(ildos)%ldos%pdos_array(imo) = r_ldos_p(ildos)%ldos%pdos_array(imo)*dvol - | ^ -Warning: 'dvol' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_pdos.mod' due to: qs_pdos.o /build/reproducible-path/cp2k-8.1/src/qs_pdos.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod preconditioner_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod cp_log_handling.mod memory_utilities.mod qs_ot_eigensolver.mod cp_gemm_interface.mod orbital_symbols.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_chargemol.mod' due to: qs_chargemol.o /build/reproducible-path/cp2k-8.1/src/qs_chargemol.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod qs_force_types.mod qs_kind_types.mod qs_subsys_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod orbital_pointers.mod machine.mod cp_output_handling.mod periodic_table.mod orbital_symbols.mod kinds.mod base_hooks.mod orbital_transformation_matrices.mod cp_files.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_active_space_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_active_space_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_energy_types.mod qs_subsys_types.mod qs_active_space_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_neighbor_list_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_loc_utils.mod cp_fm_basic_linalg.mod cp_files.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod task_list_methods.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod input_constants.mod qs_ks_methods.mod cp_gemm_interface.mod pw_env_methods.mod qs_loc_methods.mod periodic_table.mod cp_realspace_grid_cube.mod cp_fm_vect.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_active_space_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_active_space_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod pw_poisson_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_subsys_types.mod qs_ks_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod cell_types.mod qs_active_space_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod qs_loc_utils.mod cp_log_handling.mod message_passing.mod pw_env_methods.mod pw_poisson_methods.mod cp_fm_vect.mod task_list_methods.mod cp_realspace_grid_cube.mod pw_methods.mod cp_output_handling.mod mathconstants.mod periodic_table.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod qs_mo_methods.mod cp_files.mod cp_dbcsr_operations.mod qs_collocate_density.mod input_constants.mod qs_loc_methods.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_active_space_methods.F qs_active_space_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_active_space_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_active_space_methods.F90 /build/reproducible-path/cp2k-8.1/src/qs_active_space_methods.F:1179:82: 1179 | wfn_r%pw%cr3d = rho_r%pw%cr3d*wfn3%pw%cr3d*wfn4%pw%cr3d @@ -45252,139 +45354,76 @@ 965 | LOGICAL :: print1, print2, & | ^ note: 'print1' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_active_space_methods.mod' due to: qs_active_space_methods.o /build/reproducible-path/cp2k-8.1/src/qs_active_space_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_energy_types.mod qs_subsys_types.mod qs_active_space_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_neighbor_list_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_loc_utils.mod cp_fm_basic_linalg.mod cp_files.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod task_list_methods.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod input_constants.mod qs_ks_methods.mod cp_gemm_interface.mod pw_env_methods.mod qs_loc_methods.mod periodic_table.mod cp_realspace_grid_cube.mod cp_fm_vect.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_active_space_methods.mod' due to: qs_active_space_methods.o /build/reproducible-path/cp2k-8.1/src/qs_active_space_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod pw_poisson_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_subsys_types.mod qs_ks_types.mod qs_energy_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod cell_types.mod qs_active_space_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod qs_loc_utils.mod cp_log_handling.mod message_passing.mod pw_env_methods.mod pw_poisson_methods.mod cp_fm_vect.mod task_list_methods.mod cp_realspace_grid_cube.mod pw_methods.mod cp_output_handling.mod mathconstants.mod periodic_table.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod qs_mo_methods.mod cp_files.mod cp_dbcsr_operations.mod qs_collocate_density.mod input_constants.mod qs_loc_methods.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_electric_field_gradient.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_electric_field_gradient.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod paw_proj_set_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod eigenvalueproblems.mod message_passing.mod util.mod pw_poisson_methods.mod pw_methods.mod qs_gapw_densities.mod orbital_pointers.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod qs_ks_methods.mod physcon.mod qs_harmonics_atom.mod pw_spline_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_electric_field_gradient.F90 +/build/reproducible-path/cp2k-8.1/src/qs_electric_field_gradient.F:106:66: + + 106 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: efg_pw, efg_tensor + | ^ +Warning: 'efg_pw.dim[2].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_electric_field_gradient.mod' due to: qs_electric_field_gradient.o /build/reproducible-path/cp2k-8.1/src/qs_electric_field_gradient.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod basis_set_types.mod paw_proj_set_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod eigenvalueproblems.mod message_passing.mod util.mod pw_poisson_methods.mod pw_methods.mod qs_gapw_densities.mod orbital_pointers.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod qs_ks_methods.mod physcon.mod qs_harmonics_atom.mod pw_spline_utils.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minbas_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/minbas_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod mao_basis.mod cp_blacs_env.mod particle_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod lapack.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minbas_methods.F minbas_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minbas_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minbas_methods.mod' due to: minbas_methods.o /build/reproducible-path/cp2k-8.1/src/minbas_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod mao_basis.mod cp_blacs_env.mod particle_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod lapack.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minbas_wfn_analysis.o' due to: /build/reproducible-path/cp2k-8.1/src/minbas_wfn_analysis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod molden_utils.mod cp_fm_basic_linalg.mod atomic_charges.mod cp_log_handling.mod message_passing.mod cp_realspace_grid_cube.mod bibliography.mod cp_blacs_env.mod mulliken.mod cp_output_handling.mod particle_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod minbas_methods.mod qs_mo_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod iterate_matrix.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minbas_wfn_analysis.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minbas_wfn_analysis.mod' due to: minbas_wfn_analysis.o /build/reproducible-path/cp2k-8.1/src/minbas_wfn_analysis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod molden_utils.mod cp_fm_basic_linalg.mod atomic_charges.mod cp_log_handling.mod message_passing.mod cp_realspace_grid_cube.mod bibliography.mod cp_blacs_env.mod mulliken.mod cp_output_handling.mod particle_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod minbas_methods.mod qs_mo_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod iterate_matrix.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_post_gpw.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_post_gpw.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod particle_types.mod particle_list_types.mod cell_types.mod qs_mo_types.mod basis_set_types.mod qs_energy_types.mod et_coupling_types.mod admm_types.mod ps_implicit_types.mod preconditioner_types.mod qs_rho_atom_types.mod qs_scf_types.mod cp_fm_types.mod qs_kind_types.mod qs_rho_types.mod hirshfeld_types.mod cp_control_types.mod kpoint_types.mod virial_types.mod pw_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_rho0_types.mod qs_loc_types.mod molecule_types.mod scf_control_types.mod pw_pool_types.mod cp_para_types.mod pw_poisson_types.mod qs_resp.mod qs_loc_states.mod cp_dbcsr_operations.mod orbital_pointers.mod qs_energy_window.mod qs_elf_methods.mod atom_kind_orbitals.mod qs_local_properties.mod cp_output_handling.mod hirshfeld_methods.mod base_hooks.mod qs_mo_io.mod cp_log_handling.mod input_constants.mod qs_commutators.mod voronoi_interface.mod qs_integral_utils.mod pw_grids.mod kinds.mod message_passing.mod cp_fm_diag.mod molden_utils.mod qs_mo_occupation.mod xray_diffraction.mod cp_ddapc_util.mod mulliken.mod qs_wannier90.mod cp_fm_struct.mod lapack.mod memory_utilities.mod qs_dos.mod admm_utils.mod qs_ot_eigensolver.mod qs_epr_hyp.mod qs_chargemol.mod cp_realspace_grid_cube.mod cp_dbcsr_output.mod qs_collocate_density.mod ai_onecenter.mod qs_core_energies.mod qs_scf_csr_write.mod dct.mod population_analyses.mod transport.mod qs_scf_wfn_mix.mod minbas_wfn_analysis.mod mao_wfn_analysis.mod s_square_methods.mod qs_electric_field_gradient.mod cp_fm_vect.mod cp_blacs_env.mod qs_loc_utils.mod stm_images.mod qs_mo_methods.mod mathconstants.mod qs_loc_dipole.mod qs_moments.mod physcon.mod pw_poisson_methods.mod qs_pdos.mod pw_methods.mod qs_ks_methods.mod qs_active_space_methods.mod cp_array_utils.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_post_gpw.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_post_gpw.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 et_coupling_types.mod qs_loc_types.mod qs_scf_types.mod pw_pool_types.mod particle_types.mod molecule_types.mod qs_kind_types.mod qs_ks_types.mod qs_rho_types.mod qs_environment_types.mod preconditioner_types.mod atomic_kind_types.mod kpoint_types.mod hirshfeld_types.mod admm_types.mod qs_subsys_types.mod virial_types.mod qs_rho_atom_types.mod cp_control_types.mod scf_control_types.mod input_section_types.mod ps_implicit_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod basis_set_types.mod particle_list_types.mod qs_neighbor_list_types.mod pw_poisson_types.mod pw_env_types.mod pw_types.mod qs_energy_types.mod qs_rho0_types.mod cell_types.mod admm_utils.mod dct.mod cp_log_handling.mod message_passing.mod cp_dbcsr_output.mod qs_loc_dipole.mod voronoi_interface.mod population_analyses.mod qs_scf_csr_write.mod atom_kind_orbitals.mod memory_utilities.mod cp_fm_struct.mod base_hooks.mod qs_ks_methods.mod qs_collocate_density.mod qs_resp.mod cp_array_utils.mod qs_wannier90.mod pw_grids.mod qs_core_energies.mod ai_onecenter.mod qs_pdos.mod pw_poisson_methods.mod mao_wfn_analysis.mod qs_epr_hyp.mod qs_loc_states.mod qs_commutators.mod qs_elf_methods.mod orbital_pointers.mod s_square_methods.mod cp_output_handling.mod mathconstants.mod xray_diffraction.mod qs_mo_io.mod kinds.mod qs_local_properties.mod qs_dos.mod qs_integral_utils.mod qs_loc_utils.mod stm_images.mod cp_ddapc_util.mod qs_energy_window.mod qs_moments.mod qs_grid_atom.mod cp_fm_vect.mod pw_methods.mod cp_realspace_grid_cube.mod qs_chargemol.mod cp_blacs_env.mod mulliken.mod qs_active_space_methods.mod hirshfeld_methods.mod cp_dbcsr_operations.mod qs_ot_eigensolver.mod lapack.mod cp_fm_diag.mod qs_scf_wfn_mix.mod molden_utils.mod qs_electric_field_gradient.mod qs_mo_occupation.mod physcon.mod qs_mo_methods.mod input_constants.mod minbas_wfn_analysis.mod transport.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_post_gpw.F qs_scf_post_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:26:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_post_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_post_gpw.F90 /build/reproducible-path/cp2k-8.1/src/qs_scf_post_gpw.F:673:13: 673 | IF (compute_lumos) THEN | ^ Warning: 'compute_lumos' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_post_gpw.mod' due to: qs_scf_post_gpw.o /build/reproducible-path/cp2k-8.1/src/qs_scf_post_gpw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod particle_types.mod particle_list_types.mod cell_types.mod qs_mo_types.mod basis_set_types.mod qs_energy_types.mod et_coupling_types.mod admm_types.mod ps_implicit_types.mod preconditioner_types.mod qs_rho_atom_types.mod qs_scf_types.mod cp_fm_types.mod qs_kind_types.mod qs_rho_types.mod hirshfeld_types.mod cp_control_types.mod kpoint_types.mod virial_types.mod pw_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_rho0_types.mod qs_loc_types.mod molecule_types.mod scf_control_types.mod pw_pool_types.mod cp_para_types.mod pw_poisson_types.mod qs_resp.mod qs_loc_states.mod cp_dbcsr_operations.mod orbital_pointers.mod qs_energy_window.mod qs_elf_methods.mod atom_kind_orbitals.mod qs_local_properties.mod cp_output_handling.mod hirshfeld_methods.mod base_hooks.mod qs_mo_io.mod cp_log_handling.mod input_constants.mod qs_commutators.mod voronoi_interface.mod qs_integral_utils.mod pw_grids.mod kinds.mod message_passing.mod cp_fm_diag.mod molden_utils.mod qs_mo_occupation.mod xray_diffraction.mod cp_ddapc_util.mod mulliken.mod qs_wannier90.mod cp_fm_struct.mod lapack.mod memory_utilities.mod qs_dos.mod admm_utils.mod qs_ot_eigensolver.mod qs_epr_hyp.mod qs_chargemol.mod cp_realspace_grid_cube.mod cp_dbcsr_output.mod qs_collocate_density.mod ai_onecenter.mod qs_core_energies.mod qs_scf_csr_write.mod dct.mod population_analyses.mod transport.mod qs_scf_wfn_mix.mod minbas_wfn_analysis.mod mao_wfn_analysis.mod s_square_methods.mod qs_electric_field_gradient.mod cp_fm_vect.mod cp_blacs_env.mod qs_loc_utils.mod stm_images.mod qs_mo_methods.mod mathconstants.mod qs_loc_dipole.mod qs_moments.mod physcon.mod pw_poisson_methods.mod qs_pdos.mod pw_methods.mod qs_ks_methods.mod qs_active_space_methods.mod cp_array_utils.mod qs_grid_atom.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_post_tb.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_post_tb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_subsys_types.mod xtb_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod preconditioner_types.mod qs_scf_types.mod input_section_types.mod particle_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod cp_result_types.mod qs_mo_types.mod scf_control_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod qs_dftb_types.mod pw_poisson_types.mod kinds.mod qs_collocate_density.mod cp_blacs_env.mod cp_fm_diag.mod qs_scf_csr_write.mod cp_dbcsr_operations.mod molden_utils.mod qs_mo_occupation.mod population_analyses.mod qs_energy_window.mod qs_elf_methods.mod qs_scf_wfn_mix.mod stm_images.mod qs_rho_methods.mod mulliken.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod qs_dftb_utils.mod base_hooks.mod mathconstants.mod machine.mod physcon.mod qs_mo_io.mod task_list_methods.mod qs_pdos.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod moments_utils.mod cp_result_methods.mod qs_dos.mod qs_ot_eigensolver.mod input_constants.mod cp_array_utils.mod cp_fm_cholesky.mod pw_env_methods.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_post_tb.F qs_scf_post_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:27:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_post_tb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_post_tb.mod' due to: qs_scf_post_tb.o /build/reproducible-path/cp2k-8.1/src/qs_scf_post_tb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_subsys_types.mod xtb_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod preconditioner_types.mod qs_scf_types.mod input_section_types.mod particle_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod cp_result_types.mod qs_mo_types.mod scf_control_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod qs_dftb_types.mod pw_poisson_types.mod kinds.mod qs_collocate_density.mod cp_blacs_env.mod cp_fm_diag.mod qs_scf_csr_write.mod cp_dbcsr_operations.mod molden_utils.mod qs_mo_occupation.mod population_analyses.mod qs_energy_window.mod qs_elf_methods.mod qs_scf_wfn_mix.mod stm_images.mod qs_rho_methods.mod mulliken.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod qs_dftb_utils.mod base_hooks.mod mathconstants.mod machine.mod physcon.mod qs_mo_io.mod task_list_methods.mod qs_pdos.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod moments_utils.mod cp_result_methods.mod qs_dos.mod qs_ot_eigensolver.mod input_constants.mod cp_array_utils.mod cp_fm_cholesky.mod pw_env_methods.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_chebyshev.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod kinds.mod cp_output_handling.mod arnoldi_api.mod cp_log_handling.mod dm_ls_scf_qs.mod base_hooks.mod mathconstants.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F dm_ls_chebyshev.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:27:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dm_ls_chebyshev.F90 -/build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F:119:69: - - 119 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: aitchev_T, E_inte, gdensity, sqrt_vec - | ^ -Warning: 'aitchev_t.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F:119:69: Warning: 'aitchev_t.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F:355:72: - - 355 | chev_Es_dos(igrid) = (chev_E(igrid) - interval_b)/interval_a - | ^ -Warning: 'interval_b' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F:355:72: Warning: 'interval_a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_chebyshev.mod' due to: dm_ls_chebyshev.o /build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod kinds.mod cp_output_handling.mod arnoldi_api.mod cp_log_handling.mod dm_ls_scf_qs.mod base_hooks.mod mathconstants.mod machine.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod transport_env_types.mod qs_diis_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod molecule_types.mod kinds.mod dm_ls_scf_curvy.mod cp_external_control.mod qs_scf_post_gpw.mod transport.mod bibliography.mod iterate_matrix.mod arnoldi_api.mod base_hooks.mod qs_scf_post_tb.mod machine.mod dm_ls_scf_qs.mod cp_log_handling.mod dm_ls_scf_methods.mod qs_diis.mod input_constants.mod pao_main.mod dm_ls_chebyshev.mod pexsi_methods.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F dm_ls_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:27:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dm_ls_scf.F90 -/build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F:631:63: - - 631 | extra_scf = maxscf_reached .OR. scf_converged - | ^ -Warning: 'scf_converged' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F:631:63: Warning: 'maxscf_reached' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf.mod' due to: dm_ls_scf.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod transport_env_types.mod qs_diis_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod molecule_types.mod kinds.mod dm_ls_scf_curvy.mod cp_external_control.mod qs_scf_post_gpw.mod transport.mod bibliography.mod iterate_matrix.mod arnoldi_api.mod base_hooks.mod qs_scf_post_tb.mod machine.mod dm_ls_scf_qs.mod cp_log_handling.mod dm_ls_scf_methods.mod qs_diis.mod input_constants.mod pao_main.mod dm_ls_chebyshev.mod pexsi_methods.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xtb_ehess.o' due to: /build/reproducible-path/cp2k-8.1/src/xtb_ehess.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod xtb_types.mod distribution_1d_types.mod ewald_pw_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod virial_types.mod cp_para_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod message_passing.mod base_hooks.mod mathconstants.mod ewald_methods_tb.mod xtb_coulomb.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xtb_ehess.F xtb_ehess.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:27:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xtb_ehess.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xtb_ehess.mod' due to: xtb_ehess.o /build/reproducible-path/cp2k-8.1/src/xtb_ehess.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod xtb_types.mod distribution_1d_types.mod ewald_pw_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod virial_types.mod cp_para_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod message_passing.mod base_hooks.mod mathconstants.mod ewald_methods_tb.mod xtb_coulomb.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod xtb_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod kg_environment_types.mod input_section_types.mod qs_loc_types.mod qs_kpp1_env_types.mod cp_fm_types.mod pw_poisson_types.mod qs_mo_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod hfx_types.mod qs_p_env_types.mod lri_ks_methods.mod kinds.mod qs_collocate_density.mod message_passing.mod string_utilities.mod cp_external_control.mod cp_dbcsr_operations.mod qs_loc_utils.mod qs_rho0_ggrid.mod cp_fm_basic_linalg.mod cp_files.mod mulliken.mod qs_rho_methods.mod xc_derivatives.mod qs_integrate_potential.mod cp_output_handling.mod cp_fm_struct.mod qs_vxc_atom.mod base_hooks.mod qs_ks_atom.mod machine.mod hartree_local_methods.mod pw_poisson_methods.mod xc.mod pw_methods.mod cp_log_handling.mod kg_correction.mod xtb_ehess.mod input_constants.mod cp_gemm_interface.mod hfx_energy_potential.mod qs_loc_methods.mod preconditioner.mod qs_gapw_densities.mod cp_fm_vect.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_methods.F qs_linres_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:27:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_methods.mod' due to: qs_linres_methods.o /build/reproducible-path/cp2k-8.1/src/qs_linres_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod xtb_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod kg_environment_types.mod input_section_types.mod qs_loc_types.mod qs_kpp1_env_types.mod cp_fm_types.mod pw_poisson_types.mod qs_mo_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod lri_environment_types.mod hfx_types.mod qs_p_env_types.mod lri_ks_methods.mod kinds.mod qs_collocate_density.mod message_passing.mod string_utilities.mod cp_external_control.mod cp_dbcsr_operations.mod qs_loc_utils.mod qs_rho0_ggrid.mod cp_fm_basic_linalg.mod cp_files.mod mulliken.mod qs_rho_methods.mod xc_derivatives.mod qs_integrate_potential.mod cp_output_handling.mod cp_fm_struct.mod qs_vxc_atom.mod base_hooks.mod qs_ks_atom.mod machine.mod hartree_local_methods.mod pw_poisson_methods.mod xc.mod pw_methods.mod cp_log_handling.mod kg_correction.mod xtb_ehess.mod input_constants.mod cp_gemm_interface.mod hfx_energy_potential.mod qs_loc_methods.mod preconditioner.mod qs_gapw_densities.mod cp_fm_vect.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_kpp1_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod qs_environment_types.mod xc_derivative_set_types.mod input_section_types.mod qs_kpp1_env_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod qs_p_env_types.mod kinds.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod xc_derivatives.mod qs_integrate_potential.mod cp_output_handling.mod qs_vxc_atom.mod base_hooks.mod qs_ks_atom.mod hartree_local_methods.mod pw_poisson_methods.mod xc.mod pw_methods.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod kahan_sum.mod qs_gapw_densities.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_methods.F qs_kpp1_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:27:55 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_kpp1_env_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_kpp1_env_methods.mod' due to: qs_kpp1_env_methods.o /build/reproducible-path/cp2k-8.1/src/qs_kpp1_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod qs_environment_types.mod xc_derivative_set_types.mod input_section_types.mod qs_kpp1_env_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod qs_p_env_types.mod kinds.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod xc_derivatives.mod qs_integrate_potential.mod cp_output_handling.mod qs_vxc_atom.mod base_hooks.mod qs_ks_atom.mod hartree_local_methods.mod pw_poisson_methods.mod xc.mod pw_methods.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod kahan_sum.mod qs_gapw_densities.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_p_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_p_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod cp_fm_pool_types.mod hartree_local_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod preconditioner_types.mod input_section_types.mod qs_p_env_types.mod qs_kpp1_env_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod qs_local_rho_types.mod kinds.mod qs_rho_atom_methods.mod cp_blacs_env.mod string_utilities.mod qs_rho0_methods.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod cp_fm_basic_linalg.mod qs_rho_methods.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod hartree_local_methods.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod cp_gemm_interface.mod cp_fm_cholesky.mod cp_fm_vect.mod qs_kpp1_env_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_p_env_methods.F qs_p_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:28:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_p_env_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_p_env_methods.mod' due to: qs_p_env_methods.o /build/reproducible-path/cp2k-8.1/src/qs_p_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod cp_fm_pool_types.mod hartree_local_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod preconditioner_types.mod input_section_types.mod qs_p_env_types.mod qs_kpp1_env_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod qs_local_rho_types.mod kinds.mod qs_rho_atom_methods.mod cp_blacs_env.mod string_utilities.mod qs_rho0_methods.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod cp_fm_basic_linalg.mod qs_rho_methods.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod hartree_local_methods.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod cp_gemm_interface.mod cp_fm_cholesky.mod cp_fm_vect.mod qs_kpp1_env_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_post_gpw.mod' due to: qs_scf_post_gpw.o /build/reproducible-path/cp2k-8.1/src/qs_scf_post_gpw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 et_coupling_types.mod qs_loc_types.mod qs_scf_types.mod pw_pool_types.mod particle_types.mod molecule_types.mod qs_kind_types.mod qs_ks_types.mod qs_rho_types.mod qs_environment_types.mod preconditioner_types.mod atomic_kind_types.mod kpoint_types.mod hirshfeld_types.mod admm_types.mod qs_subsys_types.mod virial_types.mod qs_rho_atom_types.mod cp_control_types.mod scf_control_types.mod input_section_types.mod ps_implicit_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod basis_set_types.mod particle_list_types.mod qs_neighbor_list_types.mod pw_poisson_types.mod pw_env_types.mod pw_types.mod qs_energy_types.mod qs_rho0_types.mod cell_types.mod admm_utils.mod dct.mod cp_log_handling.mod message_passing.mod cp_dbcsr_output.mod qs_loc_dipole.mod voronoi_interface.mod population_analyses.mod qs_scf_csr_write.mod atom_kind_orbitals.mod memory_utilities.mod cp_fm_struct.mod base_hooks.mod qs_ks_methods.mod qs_collocate_density.mod qs_resp.mod cp_array_utils.mod qs_wannier90.mod pw_grids.mod qs_core_energies.mod ai_onecenter.mod qs_pdos.mod pw_poisson_methods.mod mao_wfn_analysis.mod qs_epr_hyp.mod qs_loc_states.mod qs_commutators.mod qs_elf_methods.mod orbital_pointers.mod s_square_methods.mod cp_output_handling.mod mathconstants.mod xray_diffraction.mod qs_mo_io.mod kinds.mod qs_local_properties.mod qs_dos.mod qs_integral_utils.mod qs_loc_utils.mod stm_images.mod cp_ddapc_util.mod qs_energy_window.mod qs_moments.mod qs_grid_atom.mod cp_fm_vect.mod pw_methods.mod cp_realspace_grid_cube.mod qs_chargemol.mod cp_blacs_env.mod mulliken.mod qs_active_space_methods.mod hirshfeld_methods.mod cp_dbcsr_operations.mod qs_ot_eigensolver.mod lapack.mod cp_fm_diag.mod qs_scf_wfn_mix.mod molden_utils.mod qs_electric_field_gradient.mod qs_mo_occupation.mod physcon.mod qs_mo_methods.mod input_constants.mod minbas_wfn_analysis.mod transport.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'response_solver.o' due to: /build/reproducible-path/cp2k-8.1/src/response_solver.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_force_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod kg_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cp_fm_types.mod pw_poisson_types.mod qs_mo_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod hfx_types.mod qs_p_env_types.mod kinds.mod qs_collocate_density.mod qs_core_energies.mod hfx_derivatives.mod cp_blacs_env.mod message_passing.mod cp_dbcsr_operations.mod qs_linres_methods.mod xc_derivatives.mod qs_integrate_potential.mod qs_p_env_methods.mod cp_fm_struct.mod base_hooks.mod qs_kinetic.mod kg_tnadd_mat.mod pw_poisson_methods.mod core_ppl.mod xc.mod pw_methods.mod cp_log_handling.mod core_ppnl.mod kg_correction.mod qs_overlap.mod input_constants.mod qs_ks_methods.mod cp_gemm_interface.mod hfx_energy_potential.mod cp_dbcsr_cp2k_link.mod qs_vxc.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/response_solver.F response_solver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:28:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' response_solver.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'response_solver.mod' due to: response_solver.o /build/reproducible-path/cp2k-8.1/src/response_solver.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_force_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod kg_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cp_fm_types.mod pw_poisson_types.mod qs_mo_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod hfx_types.mod qs_p_env_types.mod kinds.mod qs_collocate_density.mod qs_core_energies.mod hfx_derivatives.mod cp_blacs_env.mod message_passing.mod cp_dbcsr_operations.mod qs_linres_methods.mod xc_derivatives.mod qs_integrate_potential.mod qs_p_env_methods.mod cp_fm_struct.mod base_hooks.mod qs_kinetic.mod kg_tnadd_mat.mod pw_poisson_methods.mod core_ppl.mod xc.mod pw_methods.mod cp_log_handling.mod core_ppnl.mod kg_correction.mod qs_overlap.mod input_constants.mod qs_ks_methods.mod cp_gemm_interface.mod hfx_energy_potential.mod cp_dbcsr_cp2k_link.mod qs_vxc.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'localization_tb.o' due to: /build/reproducible-path/cp2k-8.1/src/localization_tb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_kind_types.mod qs_subsys_types.mod cp_control_types.mod particle_list_types.mod qs_environment_types.mod qs_loc_utils.mod cp_log_handling.mod qs_loc_dipole.mod cp_fm_vect.mod qs_loc_states.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/localization_tb.F localization_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' localization_tb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'localization_tb.mod' due to: localization_tb.o /build/reproducible-path/cp2k-8.1/src/localization_tb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_kind_types.mod qs_subsys_types.mod cp_control_types.mod particle_list_types.mod qs_environment_types.mod qs_loc_utils.mod cp_log_handling.mod qs_loc_dipole.mod cp_fm_vect.mod qs_loc_states.mod kinds.mod base_hooks.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ec_efield_local.o' due to: /build/reproducible-path/cp2k-8.1/src/ec_efield_local.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_period_efield_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod ec_env_types.mod cp_para_types.mod basis_set_types.mod kinds.mod orbital_pointers.mod ai_moments.mod base_hooks.mod qs_moments.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ec_efield_local.F ec_efield_local.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:28:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ec_efield_local.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ec_efield_local.mod' due to: ec_efield_local.o /build/reproducible-path/cp2k-8.1/src/ec_efield_local.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_period_efield_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod ec_env_types.mod cp_para_types.mod basis_set_types.mod kinds.mod orbital_pointers.mod ai_moments.mod base_hooks.mod qs_moments.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_band_structure.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_band_structure.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_pool_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod qs_scf_diagonalization.mod message_passing.mod kpoint_methods.mod cp_parser_methods.mod cp_blacs_env.mod machine.mod cp_para_env.mod mathconstants.mod kinds.mod base_hooks.mod qs_gamma2kp.mod physcon.mod qs_matrix_pools.mod cp_files.mod string_utilities.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_band_structure.F qs_band_structure.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_band_structure.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_band_structure.mod' due to: qs_band_structure.o /build/reproducible-path/cp2k-8.1/src/qs_band_structure.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_pool_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod qs_scf_diagonalization.mod message_passing.mod kpoint_methods.mod cp_parser_methods.mod cp_blacs_env.mod machine.mod cp_para_env.mod mathconstants.mod kinds.mod base_hooks.mod qs_gamma2kp.mod physcon.mod qs_matrix_pools.mod cp_files.mod string_utilities.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'energy_corrections.o' due to: /build/reproducible-path/cp2k-8.1/src/energy_corrections.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod external_potential_types.mod distribution_1d_types.mod pw_env_types.mod qs_kind_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod molecule_types.mod qs_mo_types.mod distribution_2d_types.mod pw_pool_types.mod task_list_types.mod virial_types.mod ec_env_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod qs_core_energies.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod iterate_matrix.mod xc_derivatives.mod qs_neighbor_lists.mod qs_integrate_potential.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_kinetic.mod qs_moments.mod physcon.mod qs_dispersion_pairpot.mod task_list_methods.mod pw_poisson_methods.mod core_ppl.mod xc.mod pw_methods.mod cp_log_handling.mod core_ppnl.mod moments_utils.mod dm_ls_scf_methods.mod qs_overlap.mod input_constants.mod qs_ks_methods.mod mao_basis.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod response_solver.mod qs_vxc.mod ec_efield_local.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/energy_corrections.F energy_corrections.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:28:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' energy_corrections.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'energy_corrections.mod' due to: energy_corrections.o /build/reproducible-path/cp2k-8.1/src/energy_corrections.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod external_potential_types.mod distribution_1d_types.mod pw_env_types.mod qs_kind_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod molecule_types.mod qs_mo_types.mod distribution_2d_types.mod pw_pool_types.mod task_list_types.mod virial_types.mod ec_env_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod qs_core_energies.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod iterate_matrix.mod xc_derivatives.mod qs_neighbor_lists.mod qs_integrate_potential.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_kinetic.mod qs_moments.mod physcon.mod qs_dispersion_pairpot.mod task_list_methods.mod pw_poisson_methods.mod core_ppl.mod xc.mod pw_methods.mod cp_log_handling.mod core_ppnl.mod moments_utils.mod dm_ls_scf_methods.mod qs_overlap.mod input_constants.mod qs_ks_methods.mod mao_basis.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod response_solver.mod qs_vxc.mod ec_efield_local.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_post_se.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_post_se.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_mo_types.mod particle_types.mod cp_result_types.mod semi_empirical_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_dbcsr_output.mod orbital_pointers.mod moments_utils.mod cp_output_handling.mod mathconstants.mod qs_mo_io.mod kinds.mod base_hooks.mod qs_ks_methods.mod physcon.mod cp_result_methods.mod ai_moments.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_post_se.F qs_scf_post_se.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_post_se.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_post_se.mod' due to: qs_scf_post_se.o /build/reproducible-path/cp2k-8.1/src/qs_scf_post_se.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_mo_types.mod particle_types.mod cp_result_types.mod semi_empirical_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_dbcsr_output.mod orbital_pointers.mod moments_utils.mod cp_output_handling.mod mathconstants.mod qs_mo_io.mod kinds.mod base_hooks.mod qs_ks_methods.mod physcon.mod cp_result_methods.mod ai_moments.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_cdft_scf_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_cdft_scf_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_para_types.mod cp_control_types.mod qs_environment_types.mod scf_control_types.mod kinds.mod cp_files.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:28:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_cdft_scf_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_cdft_scf_utils.mod' due to: qs_cdft_scf_utils.o /build/reproducible-path/cp2k-8.1/src/qs_cdft_scf_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_para_types.mod cp_control_types.mod qs_environment_types.mod scf_control_types.mod kinds.mod cp_files.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_post_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_post_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_scf_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_post_tb.mod basis_set_output.mod lri_optimize_ri_basis.mod base_hooks.mod qs_scf_post_gpw.mod localization_tb.mod qs_band_structure.mod qs_scf_post_se.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_post_scf.F qs_scf_post_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_post_scf.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_post_scf.mod' due to: qs_scf_post_scf.o /build/reproducible-path/cp2k-8.1/src/qs_scf_post_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_scf_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_post_tb.mod basis_set_output.mod lri_optimize_ri_basis.mod base_hooks.mod qs_scf_post_gpw.mod localization_tb.mod qs_band_structure.mod qs_scf_post_se.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ot_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ot_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_ot_types.mod qs_mo_types.mod scf_control_types.mod kinds.mod qs_ot.mod cp_array_utils.mod qs_ot_minimizer.mod cp_output_handling.mod cp_log_handling.mod cp_dbcsr_operations.mod qs_mo_occupation.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_ot_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_ot_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod qs_ot_types.mod qs_ot_minimizer.mod kinds.mod cp_dbcsr_operations.mod cp_log_handling.mod base_hooks.mod cp_array_utils.mod qs_ot.mod qs_mo_occupation.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_ot_scf.F qs_ot_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:28:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_ot_scf.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ot_scf.mod' due to: qs_ot_scf.o /build/reproducible-path/cp2k-8.1/src/qs_ot_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_ot_types.mod qs_mo_types.mod scf_control_types.mod kinds.mod qs_ot.mod cp_array_utils.mod qs_ot_minimizer.mod cp_output_handling.mod cp_log_handling.mod cp_dbcsr_operations.mod qs_mo_occupation.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ot_scf.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_ot_scf.mod' due to: qs_ot_scf.o /build/reproducible-path/cp2k-8.1/src/qs_ot_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod qs_ot_types.mod qs_ot_minimizer.mod kinds.mod cp_dbcsr_operations.mod cp_log_handling.mod base_hooks.mod cp_array_utils.mod qs_ot.mod qs_mo_occupation.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_loop_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_loop_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_density_mixing_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod qs_gspace_mixing.mod qs_scf_diagonalization.mod cp_external_control.mod qs_mo_occupation.mod qs_mom_methods.mod qs_outer_scf.mod qs_mixing_utils.mod qs_fb_env_methods.mod qs_rho_methods.mod qs_mo_methods.mod base_hooks.mod cp_log_handling.mod qs_ot_scf.mod qs_scf_methods.mod qs_scf_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_loop_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_loop_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_scf_types.mod qs_mo_types.mod qs_density_mixing_types.mod cp_para_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_environment_types.mod qs_scf_output.mod cp_log_handling.mod qs_scf_diagonalization.mod qs_mixing_utils.mod qs_ot_scf.mod qs_fb_env_methods.mod qs_gspace_mixing.mod qs_rho_methods.mod qs_mom_methods.mod qs_scf_methods.mod kinds.mod base_hooks.mod qs_mo_occupation.mod cp_external_control.mod qs_mo_methods.mod qs_outer_scf.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_loop_utils.F qs_scf_loop_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:28:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_loop_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_loop_utils.mod' due to: qs_scf_loop_utils.o /build/reproducible-path/cp2k-8.1/src/qs_scf_loop_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_density_mixing_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod qs_gspace_mixing.mod qs_scf_diagonalization.mod cp_external_control.mod qs_mo_occupation.mod qs_mom_methods.mod qs_outer_scf.mod qs_mixing_utils.mod qs_fb_env_methods.mod qs_rho_methods.mod qs_mo_methods.mod base_hooks.mod cp_log_handling.mod qs_ot_scf.mod qs_scf_methods.mod qs_scf_output.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'basis_set_output.o' due to: /build/reproducible-path/cp2k-8.1/src/basis_set_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod cp_files.mod cp2k_info.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/basis_set_output.F basis_set_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:28:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' basis_set_output.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'basis_set_output.mod' due to: basis_set_output.o /build/reproducible-path/cp2k-8.1/src/basis_set_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod cp_files.mod cp2k_info.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_band_structure.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_band_structure.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod qs_scf_diagonalization.mod message_passing.mod cp_blacs_env.mod string_utilities.mod qs_gamma2kp.mod cp_files.mod base_hooks.mod mathconstants.mod machine.mod qs_matrix_pools.mod physcon.mod cp_para_env.mod cp_log_handling.mod kpoint_methods.mod cp_parser_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_band_structure.F qs_band_structure.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:28:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_band_structure.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_band_structure.mod' due to: qs_band_structure.o /build/reproducible-path/cp2k-8.1/src/qs_band_structure.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod qs_scf_diagonalization.mod message_passing.mod cp_blacs_env.mod string_utilities.mod qs_gamma2kp.mod cp_files.mod base_hooks.mod mathconstants.mod machine.mod qs_matrix_pools.mod physcon.mod cp_para_env.mod cp_log_handling.mod kpoint_methods.mod cp_parser_methods.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'localization_tb.o' due to: /build/reproducible-path/cp2k-8.1/src/localization_tb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod pw_types.mod kinds.mod qs_loc_states.mod qs_loc_utils.mod base_hooks.mod qs_loc_dipole.mod cp_log_handling.mod cp_array_utils.mod cp_fm_vect.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/localization_tb.F localization_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:28:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' localization_tb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'localization_tb.mod' due to: localization_tb.o /build/reproducible-path/cp2k-8.1/src/localization_tb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod qs_loc_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod pw_types.mod kinds.mod qs_loc_states.mod qs_loc_utils.mod base_hooks.mod qs_loc_dipole.mod cp_log_handling.mod cp_array_utils.mod cp_fm_vect.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_post_se.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_post_se.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod semi_empirical_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod ai_moments.mod cp_output_handling.mod base_hooks.mod mathconstants.mod physcon.mod qs_mo_io.mod cp_log_handling.mod moments_utils.mod cp_result_methods.mod qs_ks_methods.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_post_se.F qs_scf_post_se.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_post_se.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_post_se.mod' due to: qs_scf_post_se.o /build/reproducible-path/cp2k-8.1/src/qs_scf_post_se.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod semi_empirical_types.mod basis_set_types.mod kinds.mod message_passing.mod orbital_pointers.mod ai_moments.mod cp_output_handling.mod base_hooks.mod mathconstants.mod physcon.mod qs_mo_io.mod cp_log_handling.mod moments_utils.mod cp_result_methods.mod qs_ks_methods.mod cp_dbcsr_output.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_optimize_ri_basis_types.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_optimize_ri_basis_types.mod' due to: lri_optimize_ri_basis_types.o /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod kinds.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'lri_optimize_ri_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod lri_optimize_ri_basis_types.mod qs_rho_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_para_types.mod lri_environment_types.mod basis_set_types.mod kinds.mod message_passing.mod generic_os_integrals.mod lri_environment_methods.mod cp_output_handling.mod lri_environment_init.mod base_hooks.mod cp_log_handling.mod memory_utilities.mod input_constants.mod powell.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'lri_optimize_ri_basis.mod' due to: lri_optimize_ri_basis.o /build/reproducible-path/cp2k-8.1/src/lri_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod lri_optimize_ri_basis_types.mod qs_rho_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_para_types.mod lri_environment_types.mod basis_set_types.mod kinds.mod message_passing.mod generic_os_integrals.mod lri_environment_methods.mod cp_output_handling.mod lri_environment_init.mod base_hooks.mod cp_log_handling.mod memory_utilities.mod input_constants.mod powell.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_loop_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_loop_utils.mod' due to: qs_scf_loop_utils.o /build/reproducible-path/cp2k-8.1/src/qs_scf_loop_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_scf_types.mod qs_mo_types.mod qs_density_mixing_types.mod cp_para_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_environment_types.mod qs_scf_output.mod cp_log_handling.mod qs_scf_diagonalization.mod qs_mixing_utils.mod qs_ot_scf.mod qs_fb_env_methods.mod qs_gspace_mixing.mod qs_rho_methods.mod qs_mom_methods.mod qs_scf_methods.mod kinds.mod base_hooks.mod qs_mo_occupation.mod cp_external_control.mod qs_mo_methods.mod qs_outer_scf.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf_post_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf_post_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod input_section_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_post_tb.mod basis_set_output.mod qs_band_structure.mod localization_tb.mod qs_scf_post_gpw.mod base_hooks.mod qs_scf_post_se.mod lri_optimize_ri_basis.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf_post_scf.F qs_scf_post_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf_post_scf.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf_post_scf.mod' due to: qs_scf_post_scf.o /build/reproducible-path/cp2k-8.1/src/qs_scf_post_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod input_section_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_post_tb.mod basis_set_output.mod qs_band_structure.mod localization_tb.mod qs_scf_post_gpw.mod base_hooks.mod qs_scf_post_se.mod lri_optimize_ri_basis.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_cdft_scf_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_cdft_scf_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_control_types.mod cp_para_types.mod scf_control_types.mod qs_environment_types.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_cdft_scf_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_cdft_scf_utils.mod' due to: qs_cdft_scf_utils.o /build/reproducible-path/cp2k-8.1/src/qs_cdft_scf_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_scf_types.mod cp_control_types.mod cp_para_types.mod scf_control_types.mod qs_environment_types.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod qs_cdft_types.mod qs_energy_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_density_mixing_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod cp_fm_types.mod cp_result_types.mod qs_mo_types.mod scf_control_types.mod qs_block_davidson_types.mod pw_pool_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod qs_mo_occupation.mod qs_outer_scf.mod qs_ot.mod cp_files.mod qs_rho_methods.mod qs_integrate_potential.mod cp_output_handling.mod qs_mo_methods.mod base_hooks.mod qs_cdft_scf_utils.mod machine.mod qs_mo_io.mod qs_wf_history_methods.mod cp_log_handling.mod cp_result_methods.mod qs_diis.mod qs_ot_scf.mod input_constants.mod qs_ks_methods.mod qs_scf_loop_utils.mod qs_scf_post_scf.mod kpoint_io.mod preconditioner.mod qs_scf_initialization.mod mathlib.mod qs_scf_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod qs_block_davidson_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod cp_result_types.mod qs_charges_types.mod qs_environment_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_cdft_types.mod qs_density_mixing_types.mod qs_scf_output.mod qs_scf_loop_utils.mod cp_log_handling.mod qs_ot.mod message_passing.mod qs_ot_scf.mod mathlib.mod qs_scf_post_scf.mod machine.mod cp_output_handling.mod qs_rho_methods.mod qs_wf_history_methods.mod qs_mo_io.mod kinds.mod qs_cdft_scf_utils.mod base_hooks.mod qs_ks_methods.mod qs_integrate_potential.mod qs_mo_occupation.mod cp_result_methods.mod qs_mo_methods.mod cp_files.mod cp_dbcsr_operations.mod preconditioner.mod input_constants.mod qs_outer_scf.mod qs_diis.mod qs_scf_initialization.mod kpoint_io.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_scf.F qs_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf.F90 /build/reproducible-path/cp2k-8.1/src/qs_scf.F:1588:31: 1588 | alpha = alpha_ls @@ -45400,400 +45439,26 @@ 281 | scf_control%max_scf = max_scf_tmp | ^ Warning: 'max_scf_tmp' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf.mod' due to: qs_scf.o /build/reproducible-path/cp2k-8.1/src/qs_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod qs_cdft_types.mod qs_energy_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_density_mixing_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod cp_fm_types.mod cp_result_types.mod qs_mo_types.mod scf_control_types.mod qs_block_davidson_types.mod pw_pool_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod qs_mo_occupation.mod qs_outer_scf.mod qs_ot.mod cp_files.mod qs_rho_methods.mod qs_integrate_potential.mod cp_output_handling.mod qs_mo_methods.mod base_hooks.mod qs_cdft_scf_utils.mod machine.mod qs_mo_io.mod qs_wf_history_methods.mod cp_log_handling.mod cp_result_methods.mod qs_diis.mod qs_ot_scf.mod input_constants.mod qs_ks_methods.mod qs_scf_loop_utils.mod qs_scf_post_scf.mod kpoint_io.mod preconditioner.mod qs_scf_initialization.mod mathlib.mod qs_scf_output.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_lbfgs_types.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_lbfgs_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_log_handling.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_lbfgs_types.F almo_scf_lbfgs_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' almo_scf_lbfgs_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_lbfgs_types.mod' due to: almo_scf_lbfgs_types.o /build/reproducible-path/cp2k-8.1/src/almo_scf_lbfgs_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_log_handling.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'domain_submatrix_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/domain_submatrix_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/domain_submatrix_methods.F domain_submatrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' domain_submatrix_methods.F90 -/build/reproducible-path/cp2k-8.1/src/domain_submatrix_methods.F:771:31: - - 771 | SUBROUTINE trace_submatrices(A, B, trace) - | ^ -Warning: 'trace_submatrices' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'domain_submatrix_methods.mod' due to: domain_submatrix_methods.o /build/reproducible-path/cp2k-8.1/src/domain_submatrix_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_diis_types.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod kinds.mod domain_submatrix_methods.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F almo_scf_diis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' almo_scf_diis_types.F90 -/build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F:516:41: - - 516 | almo_scf_diis_error_overlap = trace - | ^ -Warning: 'trace' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F:516:41: Warning: 'trace' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F:317:75: - - 317 | diis_env%m_b(idomain)%mdata(in_point + 1, irow + 1) = trace0 - | ^ -Warning: 'trace0' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_diis_types.mod' due to: almo_scf_diis_types.o /build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod kinds.mod domain_submatrix_methods.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ct_types.o' due to: /build/reproducible-path/cp2k-8.1/src/ct_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod cp_blacs_env.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ct_types.F ct_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ct_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ct_types.mod' due to: ct_types.o /build/reproducible-path/cp2k-8.1/src/ct_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod cp_blacs_env.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ct_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/ct_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ct_types.mod kinds.mod iterate_matrix.mod cp_dbcsr_cholesky.mod cp_log_handling.mod cp_dbcsr_diag.mod base_hooks.mod input_constants.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ct_methods.F ct_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ct_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ct_methods.mod' due to: ct_methods.o /build/reproducible-path/cp2k-8.1/src/ct_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ct_types.mod kinds.mod iterate_matrix.mod cp_dbcsr_cholesky.mod cp_log_handling.mod cp_dbcsr_diag.mod base_hooks.mod input_constants.mod machine.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_qs.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod almo_scf_types.mod molecule_types.mod qs_mo_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod qs_rho_methods.mod cp_fm_struct.mod base_hooks.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod cp_dbcsr_cp2k_link.mod cp_units.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F almo_scf_qs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' almo_scf_qs.F90 -/build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F:248:47: - - 248 | ALLOCATE (distr_new_array(nlength)) - | ^ -Warning: 'nlength' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F:1190:22: - - 1190 | IF (overlap .EQ. 0.0_dp) THEN - | ^ -Warning: 'overlap' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F:1349:120: - - 1349 | p_new_block(:, :) = 1.0_dp/(1.0_dp + EXP((r1 - r0)/(r0 - distance) + (r1 - r0)/(r1 - distance))) - | ^ -Warning: 'distance' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F:1303:63: - - 1303 | rcov=contact2_radius) - | ^ -Warning: 'contact_atom_2' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F:1301:63: - - 1301 | rcov=contact1_radius) - | ^ -Warning: 'contact_atom_1' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_qs.mod' due to: almo_scf_qs.o /build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod almo_scf_types.mod molecule_types.mod qs_mo_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod qs_rho_methods.mod cp_fm_struct.mod base_hooks.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod cp_dbcsr_cp2k_link.mod cp_units.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod cp_para_types.mod almo_scf_types.mod mathlib.mod kinds.mod fermi_utils.mod bibliography.mod util.mod iterate_matrix.mod domain_submatrix_methods.mod cp_blacs_env.mod cp_dbcsr_cholesky.mod cp_log_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F almo_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:29:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' almo_scf_methods.F90 -/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:3034:33: - - 3034 | SUBROUTINE pseudo_matrix_power(A, Apow, power, N, range1, range1_thr, shift) - | ^ -Warning: 'pseudo_matrix_power' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:2816:79: - - 2816 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: temp1, temp2, temp3, temp4 - | ^ -Warning: 'temp3.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:2816:79: Warning: 'temp3.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:2957:21: - - 2957 | ELSE IF (use_thr_only) THEN - | ^ -Warning: 'use_thr_only' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:2941:16: - - 2941 | IF (use_ranges_only) THEN - | ^ -Warning: 'use_ranges_only' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:2928:13: - - 2928 | IF (use_both) THEN - | ^ -Warning: 'use_both' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_methods.mod' due to: almo_scf_methods.o /build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod cp_para_types.mod almo_scf_types.mod mathlib.mod kinds.mod fermi_utils.mod bibliography.mod util.mod iterate_matrix.mod domain_submatrix_methods.mod cp_blacs_env.mod cp_dbcsr_cholesky.mod cp_log_handling.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_optimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_kind_types.mod almo_scf_lbfgs_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod almo_scf_types.mod domain_submatrix_types.mod almo_scf_diis_types.mod cp_para_types.mod ct_types.mod kinds.mod ct_methods.mod message_passing.mod cp_blacs_env.mod cp_external_control.mod qs_loc_utils.mod qs_localization_methods.mod cp_files.mod iterate_matrix.mod cp_output_handling.mod cp_dbcsr_cholesky.mod base_hooks.mod machine.mod almo_scf_qs.mod domain_submatrix_methods.mod particle_methods.mod cp_log_handling.mod input_constants.mod almo_scf_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F almo_scf_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:30:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' almo_scf_optimizer.F90 -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:3218:25: - - 3218 | SUBROUTINE split_v_blk(almo_scf_env) - | ^ -Warning: 'split_v_blk' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:3287:39: - - 3287 | SUBROUTINE harris_foulkes_correction(almo_scf_env) - | ^ -Warning: 'harris_foulkes_correction' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:4922:41: - - 4922 | SUBROUTINE opt_k_create_preconditioner(prec, vd_prop, f, x, oo_inv_x_tr, s, grad, & - | ^ -Warning: 'opt_k_create_preconditioner' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:2039:74: - - 2039 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: op_sm_set_almo, op_sm_set_qs - | ^ -Warning: 'op_sm_set_almo.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:2044:64: - - 2044 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 - | ^ -Warning: 'm_b0.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:2044:64: Warning: 'm_b0.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:2044:64: Warning: 'm_b0.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1207:78: - - 1207 | DO idim0 = 1, SIZE(op_sm_set_qs, 2) ! this loop is over miller ind - | ^ -Warning: 'op_sm_set_qs.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1207:78: Warning: 'op_sm_set_qs.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1208:75: - - 1208 | DO reim = 1, SIZE(op_sm_set_qs, 1) ! this loop is over Re/Im - | ^ -Warning: 'op_sm_set_qs.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1208:75: Warning: 'op_sm_set_qs.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1211:77: - - 1211 | almo_scf_env%mat_distr_aos, .FALSE.) - | ^ -Warning: 'op_sm_set_qs.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1798:64: - - 1798 | step_size = next_step_size_guess*1.05_dp - | ^ -Warning: 'next_step_size_guess' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1816:55: - - 1816 | appr_sec_der = (g1 - g0)/step_size - | ^ -Warning: 'g0' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1829:76: - - 1829 | appr_sec_der = 2.0*((e1 - e0)/step_size - g0)/step_size - | ^ -Warning: 'e0' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_optimizer.mod' due to: almo_scf_optimizer.o /build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_kind_types.mod almo_scf_lbfgs_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod almo_scf_types.mod domain_submatrix_types.mod almo_scf_diis_types.mod cp_para_types.mod ct_types.mod kinds.mod ct_methods.mod message_passing.mod cp_blacs_env.mod cp_external_control.mod qs_loc_utils.mod qs_localization_methods.mod cp_files.mod iterate_matrix.mod cp_output_handling.mod cp_dbcsr_cholesky.mod base_hooks.mod machine.mod almo_scf_qs.mod domain_submatrix_methods.mod particle_methods.mod cp_log_handling.mod input_constants.mod almo_scf_methods.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod mscfg_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cp_fm_types.mod almo_scf_types.mod molecule_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod mathlib.mod qs_initial_guess.mod bibliography.mod almo_scf_optimizer.mod iterate_matrix.mod base_hooks.mod almo_scf_qs.mod cp_para_env.mod domain_submatrix_methods.mod cp_log_handling.mod input_constants.mod almo_scf_methods.mod qs_scf_post_scf.mod cp_dbcsr_diag.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf.F almo_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:30:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' almo_scf.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf.mod' due to: almo_scf.o /build/reproducible-path/cp2k-8.1/src/almo_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod mscfg_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cp_fm_types.mod almo_scf_types.mod molecule_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod mathlib.mod qs_initial_guess.mod bibliography.mod almo_scf_optimizer.mod iterate_matrix.mod base_hooks.mod almo_scf_qs.mod cp_para_env.mod domain_submatrix_methods.mod cp_log_handling.mod input_constants.mod almo_scf_methods.mod qs_scf_post_scf.mod cp_dbcsr_diag.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_loc_types.mod cp_fm_types.mod qs_ot_types.mod distribution_2d_types.mod cp_para_types.mod kinds.mod qs_harmonics_atom.mod cp_files.mod base_hooks.mod physcon.mod libint_2c_3c.mod cp_para_env.mod memory_utilities.mod input_constants.mod libint_wrapper.mod cp_array_utils.mod qs_grid_atom.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_types.F xas_tdp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:31:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_tdp_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_types.mod' due to: xas_tdp_types.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_loc_types.mod cp_fm_types.mod qs_ot_types.mod distribution_2d_types.mod cp_para_types.mod kinds.mod qs_harmonics_atom.mod cp_files.mod base_hooks.mod physcon.mod libint_2c_3c.mod cp_para_env.mod memory_utilities.mod input_constants.mod libint_wrapper.mod cp_array_utils.mod qs_grid_atom.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod qs_o3c_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod xas_tdp_types.mod input_section_types.mod eri_mme_types.mod qs_neighbor_list_types.mod cell_types.mod molecule_types.mod distribution_2d_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod generic_os_integrals.mod cp_dbcsr_operations.mod ai_contraction_sphi.mod orbital_pointers.mod mathlib.mod cp_files.mod cp_eri_mme_interface.mod qs_neighbor_lists.mod base_hooks.mod constants_operator.mod t_c_g0.mod libint_2c_3c.mod particle_methods.mod eri_mme_integrate.mod input_constants.mod libint_wrapper.mod cp_array_utils.mod qs_integral_utils.mod gamma.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_integrals.F xas_tdp_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:31:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_tdp_integrals.F90 -/build/reproducible-path/cp2k-8.1/src/xas_tdp_integrals.F:486:96: - - 486 | !$OMP iabc,sabc,jset,kset,ncob,ncoc,sgfb,sgfc,egfb,egfc,sabc_ext,cpp_buffer,ccp_buffer) - | ^ -Warning: 'my_eps_screen' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_integrals.mod' due to: xas_tdp_integrals.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod qs_o3c_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod xas_tdp_types.mod input_section_types.mod eri_mme_types.mod qs_neighbor_list_types.mod cell_types.mod molecule_types.mod distribution_2d_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod generic_os_integrals.mod cp_dbcsr_operations.mod ai_contraction_sphi.mod orbital_pointers.mod mathlib.mod cp_files.mod cp_eri_mme_interface.mod qs_neighbor_lists.mod base_hooks.mod constants_operator.mod t_c_g0.mod libint_2c_3c.mod particle_methods.mod eri_mme_integrate.mod input_constants.mod libint_wrapper.mod cp_array_utils.mod qs_integral_utils.mod gamma.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod xc_derivative_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod xas_tdp_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod atom_operators.mod cp_dbcsr_operations.mod ai_contraction_sphi.mod orbital_transformation_matrices.mod orbital_pointers.mod spherical_harmonics.mod qs_harmonics_atom.mod mathlib.mod util.mod xc_derivatives.mod xas_tdp_integrals.mod cp_dbcsr_cholesky.mod base_hooks.mod mathconstants.mod physcon.mod xc_atom.mod libint_2c_3c.mod cp_para_env.mod particle_methods.mod xc.mod cp_log_handling.mod memory_utilities.mod qs_overlap.mod input_constants.mod cp_array_utils.mod qs_integral_utils.mod lebedev.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F xas_tdp_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:31:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_tdp_atom.F90 -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:409:32: - - 409 | new_nr = nr - first_ir + 1 - | ^ -Warning: 'first_ir' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:396:68: - - 396 | INTEGER :: first_ir, ir, llmax_p1, na, new_nr, nr - | ^ -note: 'first_ir' was declared here -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1132:63: - - 1132 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: dso - | ^ -Warning: 'dso.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1133:70: - - 1133 | REAL(dp), DIMENSION(:, :), POINTER :: dgr1, dgr2, ga, gr, ri_sphi_so, zet - | ^ -Warning: 'dgr2.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1133:70: Warning: 'dgr2.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: - - 1228 | dgr2(:, iso_proc:iso_proc), nr, 1.0_dp, dso(:, :, dir), na) - | ^ -Warning: 'dgr2.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: Warning: 'dgr2.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: Warning: 'dgr2.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: Warning: 'dgr2.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1133:64: - - 1133 | REAL(dp), DIMENSION(:, :), POINTER :: dgr1, dgr2, ga, gr, ri_sphi_so, zet - | ^ -Warning: 'dgr1.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1133:64: Warning: 'dgr1.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: - - 1226 | dgr1(:, iso_proc:iso_proc), nr, 0.0_dp, dso(:, :, dir), na) - | ^ -Warning: 'dgr1.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: Warning: 'dgr1.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: Warning: 'dgr1.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: Warning: 'dgr1.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:70: - - 1134 | REAL(dp), DIMENSION(:, :, :), POINTER :: dga1, dga2, rhoa, rhob - | ^ -Warning: 'dga2.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: 'dga2.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: 'dga2.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: 'dga2.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: - - 1228 | dgr2(:, iso_proc:iso_proc), nr, 1.0_dp, dso(:, :, dir), na) - | ^ -Warning: 'dga2.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: Warning: 'dga2.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: Warning: 'dga2.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:64: - - 1134 | REAL(dp), DIMENSION(:, :, :), POINTER :: dga1, dga2, rhoa, rhob - | ^ -Warning: 'dga1.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: 'dga1.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: 'dga1.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: 'dga1.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: - - 1226 | dgr1(:, iso_proc:iso_proc), nr, 0.0_dp, dso(:, :, dir), na) - | ^ -Warning: 'dga1.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: Warning: 'dga1.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: Warning: 'dga1.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: - - 1315 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos - | ^ -Warning: 'dsgf.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: 'dsgf.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: 'dsgf.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: 'dsgf.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1553:37: - - 1553 | IF (do_gga) dsgf = 0.0_dp - | ^ -Warning: 'dsgf.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: - - 1315 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos - | ^ -note: 'dsgf.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: 'dsgf.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_atom.mod' due to: xas_tdp_atom.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod xc_derivative_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod xas_tdp_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod atom_operators.mod cp_dbcsr_operations.mod ai_contraction_sphi.mod orbital_transformation_matrices.mod orbital_pointers.mod spherical_harmonics.mod qs_harmonics_atom.mod mathlib.mod util.mod xc_derivatives.mod xas_tdp_integrals.mod cp_dbcsr_cholesky.mod base_hooks.mod mathconstants.mod physcon.mod xc_atom.mod libint_2c_3c.mod cp_para_env.mod particle_methods.mod xc.mod cp_log_handling.mod memory_utilities.mod qs_overlap.mod input_constants.mod cp_array_utils.mod qs_integral_utils.mod lebedev.mod qs_grid_atom.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_kernel.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_kernel.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod cp_para_types.mod particle_types.mod qs_environment_types.mod qs_kind_types.mod xas_tdp_types.mod basis_set_types.mod kinds.mod util.mod message_passing.mod particle_methods.mod qs_integral_utils.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_kernel.F xas_tdp_kernel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:31:40 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_tdp_kernel.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_kernel.mod' due to: xas_tdp_kernel.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_kernel.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod cp_para_types.mod particle_types.mod qs_environment_types.mod qs_kind_types.mod xas_tdp_types.mod basis_set_types.mod kinds.mod util.mod message_passing.mod particle_methods.mod qs_integral_utils.mod cp_dbcsr_operations.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_correction.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 admm_types.mod cp_cfm_types.mod cp_control_types.mod qs_environment_types.mod xas_tdp_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod hfx_admm_utils.mod cp_cfm_diag.mod util.mod bibliography.mod cp_fm_struct.mod base_hooks.mod machine.mod physcon.mod cp_log_handling.mod admm_utils.mod xas_tdp_kernel.mod qs_ks_methods.mod cp_gemm_interface.mod cp_array_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F xas_tdp_correction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:31:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_tdp_correction.F90 -/build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F:516:46: - - 516 | nbatch_occ = MAX(1, nblk_occ/batch_size) - | ^ -Warning: 'nblk_occ' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F:517:48: - - 517 | nbatch_virt = MAX(1, nblk_virt/batch_size) - | ^ -Warning: 'nblk_virt' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_correction.mod' due to: xas_tdp_correction.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 admm_types.mod cp_cfm_types.mod cp_control_types.mod qs_environment_types.mod xas_tdp_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod hfx_admm_utils.mod cp_cfm_diag.mod util.mod bibliography.mod cp_fm_struct.mod base_hooks.mod machine.mod physcon.mod cp_log_handling.mod admm_utils.mod xas_tdp_kernel.mod qs_ks_methods.mod cp_gemm_interface.mod cp_array_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod preconditioner_types.mod xas_tdp_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod cp_dbcsr_cholesky.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod physcon.mod cp_log_handling.mod qs_ot_eigensolver.mod xas_tdp_kernel.mod input_constants.mod cp_gemm_interface.mod cp_dbcsr_diag.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_utils.F xas_tdp_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:32:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_tdp_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_utils.mod' due to: xas_tdp_utils.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod preconditioner_types.mod xas_tdp_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod cp_dbcsr_cholesky.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod physcon.mod cp_log_handling.mod qs_ot_eigensolver.mod xas_tdp_kernel.mod input_constants.mod cp_gemm_interface.mod cp_dbcsr_diag.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_scf.mod' due to: qs_scf.o /build/reproducible-path/cp2k-8.1/src/qs_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod qs_block_davidson_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod cp_result_types.mod qs_charges_types.mod qs_environment_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_cdft_types.mod qs_density_mixing_types.mod qs_scf_output.mod qs_scf_loop_utils.mod cp_log_handling.mod qs_ot.mod message_passing.mod qs_ot_scf.mod mathlib.mod qs_scf_post_scf.mod machine.mod cp_output_handling.mod qs_rho_methods.mod qs_wf_history_methods.mod qs_mo_io.mod kinds.mod qs_cdft_scf_utils.mod base_hooks.mod qs_ks_methods.mod qs_integrate_potential.mod qs_mo_occupation.mod cp_result_methods.mod qs_mo_methods.mod cp_files.mod cp_dbcsr_operations.mod preconditioner.mod input_constants.mod qs_outer_scf.mod qs_diis.mod qs_scf_initialization.mod kpoint_io.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tp_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tp_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod qs_energy_types.mod xas_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_density_mixing_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod preconditioner_types.mod qs_scf_types.mod input_section_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod qs_gspace_mixing.mod qs_scf_diagonalization.mod message_passing.mod cp_blacs_env.mod cp_external_control.mod qs_mo_occupation.mod qs_mixing_utils.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod base_hooks.mod machine.mod particle_methods.mod cp_log_handling.mod qs_ot_eigensolver.mod input_constants.mod qs_ks_methods.mod cp_array_utils.mod qs_loc_methods.mod xas_control.mod xas_restart.mod preconditioner.mod qs_scf.mod qs_scf_methods.mod qs_scf_initialization.mod qs_scf_output.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tp_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tp_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod xas_env_types.mod qs_charges_types.mod qs_environment_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod cell_types.mod qs_density_mixing_types.mod qs_scf_output.mod cp_log_handling.mod qs_scf_diagonalization.mod message_passing.mod qs_mixing_utils.mod xas_restart.mod qs_gspace_mixing.mod cp_blacs_env.mod particle_methods.mod machine.mod cp_output_handling.mod qs_rho_methods.mod qs_scf.mod qs_scf_methods.mod kinds.mod base_hooks.mod xas_control.mod qs_ks_methods.mod qs_mo_occupation.mod cp_external_control.mod qs_mo_methods.mod preconditioner.mod qs_ot_eigensolver.mod input_constants.mod cp_array_utils.mod qs_scf_initialization.mod qs_loc_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tp_scf.F xas_tp_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:32:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_tp_scf.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tp_scf.mod' due to: xas_tp_scf.o /build/reproducible-path/cp2k-8.1/src/xas_tp_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_charges_types.mod atomic_kind_types.mod qs_energy_types.mod xas_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_density_mixing_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod preconditioner_types.mod qs_scf_types.mod input_section_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod kinds.mod qs_gspace_mixing.mod qs_scf_diagonalization.mod message_passing.mod cp_blacs_env.mod cp_external_control.mod qs_mo_occupation.mod qs_mixing_utils.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod base_hooks.mod machine.mod particle_methods.mod cp_log_handling.mod qs_ot_eigensolver.mod input_constants.mod qs_ks_methods.mod cp_array_utils.mod qs_loc_methods.mod xas_control.mod xas_restart.mod preconditioner.mod qs_scf.mod qs_scf_methods.mod qs_scf_initialization.mod qs_scf_output.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tp_scf.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tp_scf.mod' due to: xas_tp_scf.o /build/reproducible-path/cp2k-8.1/src/xas_tp_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod xas_env_types.mod qs_charges_types.mod qs_environment_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod cell_types.mod qs_density_mixing_types.mod qs_scf_output.mod cp_log_handling.mod qs_scf_diagonalization.mod message_passing.mod qs_mixing_utils.mod xas_restart.mod qs_gspace_mixing.mod cp_blacs_env.mod particle_methods.mod machine.mod cp_output_handling.mod qs_rho_methods.mod qs_scf.mod qs_scf_methods.mod kinds.mod base_hooks.mod xas_control.mod qs_ks_methods.mod qs_mo_occupation.mod cp_external_control.mod qs_mo_methods.mod preconditioner.mod qs_ot_eigensolver.mod input_constants.mod cp_array_utils.mod qs_scf_initialization.mod qs_loc_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod xas_env_types.mod qs_kind_types.mod cp_fm_pool_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod basis_set_types.mod kinds.mod ai_contraction.mod cp_external_control.mod cp_dbcsr_operations.mod qs_loc_utils.mod qs_operators_ao.mod orbital_pointers.mod ai_overlap.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod xas_tp_scf.mod base_hooks.mod qs_matrix_pools.mod physcon.mod qs_mo_io.mod qs_pdos.mod particle_methods.mod cp_log_handling.mod memory_utilities.mod qs_diis.mod input_constants.mod cp_gemm_interface.mod cp_array_utils.mod qs_loc_methods.mod xas_control.mod cp_dbcsr_cp2k_link.mod periodic_table.mod xas_restart.mod qs_scf.mod qs_scf_initialization.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod xas_env_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_contraction.mod qs_loc_utils.mod cp_log_handling.mod ai_overlap.mod qs_pdos.mod xas_restart.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod particle_methods.mod cp_output_handling.mod periodic_table.mod qs_scf.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod xas_control.mod xas_tp_scf.mod physcon.mod cp_external_control.mod qs_matrix_pools.mod qs_mo_methods.mod cp_dbcsr_operations.mod input_constants.mod qs_operators_ao.mod cp_array_utils.mod qs_diis.mod qs_scf_initialization.mod qs_loc_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_methods.F xas_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:32:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_methods.mod' due to: xas_methods.o /build/reproducible-path/cp2k-8.1/src/xas_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod xas_env_types.mod qs_kind_types.mod cp_fm_pool_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod basis_set_types.mod kinds.mod ai_contraction.mod cp_external_control.mod cp_dbcsr_operations.mod qs_loc_utils.mod qs_operators_ao.mod orbital_pointers.mod ai_overlap.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod xas_tp_scf.mod base_hooks.mod qs_matrix_pools.mod physcon.mod qs_mo_io.mod qs_pdos.mod particle_methods.mod cp_log_handling.mod memory_utilities.mod qs_diis.mod input_constants.mod cp_gemm_interface.mod cp_array_utils.mod qs_loc_methods.mod xas_control.mod cp_dbcsr_cp2k_link.mod periodic_table.mod xas_restart.mod qs_scf.mod qs_scf_initialization.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod parallel_rng_types.mod xas_tdp_types.mod qs_scf_types.mod input_section_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_loc_utils.mod qs_operators_ao.mod cp_fm_basic_linalg.mod xas_tdp_atom.mod mathlib.mod util.mod cp_files.mod xc_write_output.mod xas_tdp_integrals.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod machine.mod physcon.mod xas_tdp_correction.mod qs_pdos.mod particle_methods.mod qs_interactions.mod input_cp2k_dft.mod cp_log_handling.mod memory_utilities.mod admm_utils.mod input_constants.mod cp_gemm_interface.mod xas_tdp_utils.mod libint_wrapper.mod qs_loc_methods.mod xas_methods.mod periodic_table.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F xas_tdp_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:32:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xas_tdp_methods.F90 -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2514:26: - - 2514 | nmo = SIZE(lr_evals) - | ^ -Warning: 'lr_evals.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2514:26: Warning: 'lr_evals.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2443:68: - - 2443 | REAL(dp), DIMENSION(:), POINTER :: lr_evals - | ^ -Warning: 'lr_evals.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2443:68: Warning: 'lr_evals.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2612:33: - - 2612 | IF (nspins == 1 .AND. ndo_mo == 1) THEN - | ^ -Warning: 'nspins' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:1501:41: - - 1501 | ALLOCATE (my_mos(n_states, nspins)) - | ^ -Warning: 'n_states' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2056:27: - - 2056 | nosc = SIZE(lr_evals) - | ^ -Warning: 'lr_evals.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2056:27: Warning: 'lr_evals.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2027:68: - - 2027 | REAL(dp), DIMENSION(:), POINTER :: lr_evals, osc_str - | ^ -Warning: 'lr_evals.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2027:68: Warning: 'lr_evals.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2054:28: - - 2054 | ndo_so = ndo_mo*nspins - | ^ -Warning: 'nspins' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2170:27: - - 2170 | nosc = SIZE(lr_evals) - | ^ -Warning: 'lr_evals.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2170:27: Warning: 'lr_evals.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2141:68: - - 2141 | REAL(dp), DIMENSION(:), POINTER :: lr_evals, osc_str - | ^ -Warning: 'lr_evals.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2141:68: Warning: 'lr_evals.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2168:28: - - 2168 | ndo_so = ndo_mo*nspins - | ^ -Warning: 'nspins' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_methods.mod' due to: xas_tdp_methods.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod parallel_rng_types.mod xas_tdp_types.mod qs_scf_types.mod input_section_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_loc_utils.mod qs_operators_ao.mod cp_fm_basic_linalg.mod xas_tdp_atom.mod mathlib.mod util.mod cp_files.mod xc_write_output.mod xas_tdp_integrals.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod machine.mod physcon.mod xas_tdp_correction.mod qs_pdos.mod particle_methods.mod qs_interactions.mod input_cp2k_dft.mod cp_log_handling.mod memory_utilities.mod admm_utils.mod input_constants.mod cp_gemm_interface.mod xas_tdp_utils.mod libint_wrapper.mod qs_loc_methods.mod xas_methods.mod periodic_table.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'et_coupling_proj.o' due to: /build/reproducible-path/cp2k-8.1/src/et_coupling_proj.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_mo_occupation.mod orbital_pointers.mod cp_fm_basic_linalg.mod bibliography.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod physcon.mod cp_log_handling.mod cp_gemm_interface.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/et_coupling_proj.F et_coupling_proj.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:32:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' et_coupling_proj.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'et_coupling_proj.mod' due to: et_coupling_proj.o /build/reproducible-path/cp2k-8.1/src/et_coupling_proj.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod basis_set_types.mod kinds.mod qs_collocate_density.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_mo_occupation.mod orbital_pointers.mod cp_fm_basic_linalg.mod bibliography.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod physcon.mod cp_log_handling.mod cp_gemm_interface.mod cp_realspace_grid_cube.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:39:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_methods.mod' due to: xas_methods.o /build/reproducible-path/cp2k-8.1/src/xas_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod xas_env_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod ai_contraction.mod qs_loc_utils.mod cp_log_handling.mod ai_overlap.mod qs_pdos.mod xas_restart.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod particle_methods.mod cp_output_handling.mod periodic_table.mod qs_scf.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod xas_control.mod xas_tp_scf.mod physcon.mod cp_external_control.mod qs_matrix_pools.mod qs_mo_methods.mod cp_dbcsr_operations.mod input_constants.mod qs_operators_ao.mod cp_array_utils.mod qs_diis.mod qs_scf_initialization.mod qs_loc_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_stda_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod cp_log_handling.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_stda_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod kinds.mod cp_log_handling.mod base_hooks.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_types.F qs_tddfpt2_stda_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:32:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_stda_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_stda_types.mod' due to: qs_tddfpt2_stda_types.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod cp_log_handling.mod base_hooks.mod physcon.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_stda_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_stda_types.mod' due to: qs_tddfpt2_stda_types.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod cp_control_types.mod qs_environment_types.mod qs_kind_types.mod kinds.mod cp_log_handling.mod base_hooks.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_subgroups.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_subgroups.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod molecule_kind_types.mod cell_types.mod cp_fm_types.mod molecule_types.mod distribution_2d_types.mod task_list_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod distribution_methods.mod qs_neighbor_lists.mod cp_fm_struct.mod base_hooks.mod task_list_methods.mod cp_para_env.mod input_constants.mod pw_env_methods.mod cp_dbcsr_cp2k_link.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_subgroups.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_subgroups.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod cp_fm_types.mod particle_types.mod admm_types.mod pw_env_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod distribution_1d_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod pw_env_methods.mod distribution_methods.mod task_list_methods.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod qs_neighbor_lists.mod cp_para_env.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:32:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_subgroups.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_subgroups.F90 /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_subgroups.F:493:62: 493 | qs_control%relative_cutoff = mgrid_saved%relative_cutoff @@ -45854,26 +45519,21 @@ 184 | TYPE(mgrid_saved_parameters) :: mgrid_saved | ^ note: 'MEM [(struct mgrid_saved_parameters *)&mgrid_saved]' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_subgroups.mod' due to: qs_tddfpt2_subgroups.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_subgroups.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod pw_env_types.mod qs_kind_types.mod admm_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod molecule_kind_types.mod cell_types.mod cp_fm_types.mod molecule_types.mod distribution_2d_types.mod task_list_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod distribution_methods.mod qs_neighbor_lists.mod cp_fm_struct.mod base_hooks.mod task_list_methods.mod cp_para_env.mod input_constants.mod pw_env_methods.mod cp_dbcsr_cp2k_link.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_subgroups.mod' due to: qs_tddfpt2_subgroups.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_subgroups.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod cp_fm_types.mod particle_types.mod admm_types.mod pw_env_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod distribution_1d_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod pw_env_methods.mod distribution_methods.mod task_list_methods.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod qs_neighbor_lists.mod cp_para_env.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ewald_pw_types.mod pw_env_types.mod admm_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod cp_fm_pool_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod xc_derivative_set_types.mod input_section_types.mod qs_neighbor_list_types.mod ewald_environment_types.mod cp_fm_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod cp_blacs_env.mod cp_dbcsr_operations.mod qs_rho_methods.mod xc_derivatives.mod cp_fm_struct.mod base_hooks.mod xc.mod cp_gemm_interface.mod qs_tddfpt2_subgroups.mod cp_fm_vect.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod ewald_environment_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod xc_rho_set_types.mod pw_pool_types.mod xc_rho_cflags_types.mod admm_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod cp_fm_pool_types.mod ewald_pw_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod xc.mod qs_tddfpt2_subgroups.mod cp_fm_vect.mod cp_blacs_env.mod qs_rho_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod xc_derivatives.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_types.F qs_tddfpt2_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:32:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_types.mod' due to: qs_tddfpt2_types.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ewald_pw_types.mod pw_env_types.mod admm_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod cp_fm_pool_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod xc_derivative_set_types.mod input_section_types.mod qs_neighbor_list_types.mod ewald_environment_types.mod cp_fm_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod kinds.mod cp_blacs_env.mod cp_dbcsr_operations.mod qs_rho_methods.mod xc_derivatives.mod cp_fm_struct.mod base_hooks.mod xc.mod cp_gemm_interface.mod qs_tddfpt2_subgroups.mod cp_fm_vect.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_types.mod' due to: qs_tddfpt2_types.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod ewald_environment_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod xc_rho_set_types.mod pw_pool_types.mod xc_rho_cflags_types.mod admm_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod cp_fm_pool_types.mod ewald_pw_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod xc.mod qs_tddfpt2_subgroups.mod cp_fm_vect.mod cp_blacs_env.mod qs_rho_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod xc_derivatives.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_densities.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_densities.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_ks_types.mod cp_fm_types.mod qs_environment_types.mod qs_rho_types.mod cp_gemm_interface.mod kinds.mod qs_collocate_density.mod qs_rho_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_tddfpt2_subgroups.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_densities.F qs_tddfpt2_densities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_densities.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_densities.mod' due to: qs_tddfpt2_densities.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_densities.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_ks_types.mod cp_fm_types.mod qs_environment_types.mod qs_rho_types.mod cp_gemm_interface.mod kinds.mod qs_collocate_density.mod qs_rho_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_tddfpt2_subgroups.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_operators.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_operators.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod admm_types.mod xc_rho_set_types.mod qs_rho_types.mod qs_environment_types.mod cp_fm_types.mod qs_tddfpt2_types.mod pw_pool_types.mod pw_types.mod pw_poisson_types.mod kinds.mod cp_dbcsr_operations.mod hfx_admm_utils.mod cp_fm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod pw_poisson_methods.mod xc.mod pw_methods.mod cp_gemm_interface.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_operators.F qs_tddfpt2_operators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_operators.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_operators.mod' due to: qs_tddfpt2_operators.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_operators.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod admm_types.mod xc_rho_set_types.mod qs_rho_types.mod qs_environment_types.mod cp_fm_types.mod qs_tddfpt2_types.mod pw_pool_types.mod pw_types.mod pw_poisson_types.mod kinds.mod cp_dbcsr_operations.mod hfx_admm_utils.mod cp_fm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod pw_poisson_methods.mod xc.mod pw_methods.mod cp_gemm_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_restart.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_restart.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_tddfpt2_types.mod cp_fm_pool_types.mod cp_para_types.mod cp_files.mod cp_fm_basic_linalg.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_blacs_env.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_restart.F qs_tddfpt2_restart.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_restart.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_restart.mod' due to: qs_tddfpt2_restart.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_restart.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_tddfpt2_types.mod cp_fm_pool_types.mod cp_para_types.mod cp_files.mod cp_fm_basic_linalg.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_blacs_env.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_stda_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod ewald_pw_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod cp_fm_types.mod qs_tddfpt2_types.mod scf_control_types.mod virial_types.mod cp_para_types.mod atprop_types.mod kinds.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod util.mod iterate_matrix.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod particle_methods.mod cp_log_handling.mod ewald_methods_tb.mod cp_dbcsr_cp2k_link.mod qs_tddfpt2_subgroups.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_stda_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod ewald_environment_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod particle_types.mod atprop_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod qs_tddfpt2_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod util.mod qs_tddfpt2_subgroups.mod cp_dbcsr_cp2k_link.mod particle_methods.mod mathconstants.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod iterate_matrix.mod ewald_methods_tb.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_utils.F qs_tddfpt2_stda_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_stda_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_stda_utils.F90 /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_utils.F:183:39: 183 | cstring = "GAMMA EXCHANGE MATRIX" @@ -45884,51 +45544,56 @@ 343 | CALL copy_dbcsr_to_fm(sm_s, fm_s_half) | ^ Warning: 'sm_s' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_stda_utils.mod' due to: qs_tddfpt2_stda_utils.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod ewald_pw_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod cp_fm_types.mod qs_tddfpt2_types.mod scf_control_types.mod virial_types.mod cp_para_types.mod atprop_types.mod kinds.mod message_passing.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod util.mod iterate_matrix.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod particle_methods.mod cp_log_handling.mod ewald_methods_tb.mod cp_dbcsr_cp2k_link.mod qs_tddfpt2_subgroups.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_stda_utils.mod' due to: qs_tddfpt2_stda_utils.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_stda_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod ewald_environment_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod particle_types.mod atprop_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod virial_types.mod qs_tddfpt2_types.mod cp_control_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod util.mod qs_tddfpt2_subgroups.mod cp_dbcsr_cp2k_link.mod particle_methods.mod mathconstants.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod iterate_matrix.mod ewald_methods_tb.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_densities.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_densities.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod pw_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod qs_rho_methods.mod qs_tddfpt2_subgroups.mod cp_gemm_interface.mod kinds.mod cp_dbcsr_operations.mod qs_collocate_density.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_densities.F qs_tddfpt2_densities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_densities.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_densities.mod' due to: qs_tddfpt2_densities.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_densities.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod pw_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod qs_rho_methods.mod qs_tddfpt2_subgroups.mod cp_gemm_interface.mod kinds.mod cp_dbcsr_operations.mod qs_collocate_density.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_operators.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_operators.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod cp_fm_types.mod xc_rho_set_types.mod pw_pool_types.mod admm_types.mod pw_env_types.mod pw_types.mod qs_tddfpt2_types.mod qs_rho_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod xc.mod pw_poisson_methods.mod hfx_admm_utils.mod pw_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_operators.F qs_tddfpt2_operators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_operators.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_operators.mod' due to: qs_tddfpt2_operators.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_operators.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod cp_fm_types.mod xc_rho_set_types.mod pw_pool_types.mod admm_types.mod pw_env_types.mod pw_types.mod qs_tddfpt2_types.mod qs_rho_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod xc.mod pw_poisson_methods.mod hfx_admm_utils.mod pw_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_fhxc.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_fhxc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod cp_fm_types.mod qs_tddfpt2_types.mod pw_types.mod kinds.mod cp_dbcsr_operations.mod qs_tddfpt2_densities.mod qs_rho_methods.mod qs_integrate_potential.mod base_hooks.mod qs_tddfpt2_operators.mod pw_methods.mod cp_gemm_interface.mod qs_tddfpt2_stda_utils.mod qs_tddfpt2_subgroups.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_fhxc.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_fhxc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_tddfpt2_stda_types.mod pw_types.mod qs_tddfpt2_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod qs_tddfpt2_stda_utils.mod qs_tddfpt2_subgroups.mod qs_tddfpt2_densities.mod pw_methods.mod qs_rho_methods.mod cp_gemm_interface.mod kinds.mod base_hooks.mod qs_tddfpt2_operators.mod qs_integrate_potential.mod cp_dbcsr_operations.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_fhxc.F qs_tddfpt2_fhxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_fhxc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_fhxc.mod' due to: qs_tddfpt2_fhxc.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_fhxc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod cp_fm_types.mod qs_tddfpt2_types.mod pw_types.mod kinds.mod cp_dbcsr_operations.mod qs_tddfpt2_densities.mod qs_rho_methods.mod qs_integrate_potential.mod base_hooks.mod qs_tddfpt2_operators.mod pw_methods.mod cp_gemm_interface.mod qs_tddfpt2_stda_utils.mod qs_tddfpt2_subgroups.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_fhxc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_fhxc.mod' due to: qs_tddfpt2_fhxc.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_fhxc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_tddfpt2_stda_types.mod pw_types.mod qs_tddfpt2_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod qs_tddfpt2_stda_utils.mod qs_tddfpt2_subgroups.mod qs_tddfpt2_densities.mod pw_methods.mod qs_rho_methods.mod cp_gemm_interface.mod kinds.mod base_hooks.mod qs_tddfpt2_operators.mod qs_integrate_potential.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_pot_saop.o' due to: /build/reproducible-path/cp2k-8.1/src/xc_pot_saop.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod xc_derivative_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod qs_rho_atom_types.mod input_section_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_oce_types.mod qs_mo_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod qs_local_rho_types.mod kinds.mod qs_rho_atom_methods.mod cp_dbcsr_operations.mod xc_xbecke88.mod qs_harmonics_atom.mod util.mod xc_derivatives.mod qs_integrate_potential.mod qs_vxc_atom.mod base_hooks.mod mathconstants.mod qs_ks_atom.mod xc_atom.mod xc.mod pw_methods.mod input_constants.mod cp_array_utils.mod qs_gapw_densities.mod qs_grid_atom.mod qs_collocate_density.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xc_pot_saop.o' due to: /build/reproducible-path/cp2k-8.1/src/xc_pot_saop.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod xc_derivative_set_types.mod cp_fm_types.mod xc_rho_set_types.mod qs_mo_types.mod pw_pool_types.mod xc_rho_cflags_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod xc_derivative_types.mod virial_types.mod qs_ks_types.mod qs_rho_atom_types.mod qs_oce_types.mod cp_control_types.mod qs_rho_types.mod qs_local_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod xc_xbecke88.mod xc.mod util.mod qs_grid_atom.mod qs_ks_atom.mod pw_methods.mod qs_gapw_densities.mod mathconstants.mod kinds.mod base_hooks.mod qs_integrate_potential.mod qs_harmonics_atom.mod qs_vxc_atom.mod cp_dbcsr_operations.mod qs_collocate_density.mod xc_derivatives.mod input_constants.mod cp_array_utils.mod xc_atom.mod qs_rho_atom_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xc_pot_saop.F xc_pot_saop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xc_pot_saop.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_pot_saop.mod' due to: xc_pot_saop.o /build/reproducible-path/cp2k-8.1/src/xc_pot_saop.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod xc_rho_cflags_types.mod xc_rho_set_types.mod qs_rho_types.mod xc_derivative_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod xc_derivative_set_types.mod qs_rho_atom_types.mod input_section_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_oce_types.mod qs_mo_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod qs_local_rho_types.mod kinds.mod qs_rho_atom_methods.mod cp_dbcsr_operations.mod xc_xbecke88.mod qs_harmonics_atom.mod util.mod xc_derivatives.mod qs_integrate_potential.mod qs_vxc_atom.mod base_hooks.mod mathconstants.mod qs_ks_atom.mod xc_atom.mod xc.mod pw_methods.mod input_constants.mod cp_array_utils.mod qs_gapw_densities.mod qs_grid_atom.mod qs_collocate_density.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_pot_saop.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xc_pot_saop.mod' due to: xc_pot_saop.o /build/reproducible-path/cp2k-8.1/src/xc_pot_saop.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod xc_derivative_set_types.mod cp_fm_types.mod xc_rho_set_types.mod qs_mo_types.mod pw_pool_types.mod xc_rho_cflags_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod xc_derivative_types.mod virial_types.mod qs_ks_types.mod qs_rho_atom_types.mod qs_oce_types.mod cp_control_types.mod qs_rho_types.mod qs_local_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod xc_xbecke88.mod xc.mod util.mod qs_grid_atom.mod qs_ks_atom.mod pw_methods.mod qs_gapw_densities.mod mathconstants.mod kinds.mod base_hooks.mod qs_integrate_potential.mod qs_harmonics_atom.mod qs_vxc_atom.mod cp_dbcsr_operations.mod qs_collocate_density.mod xc_derivatives.mod input_constants.mod cp_array_utils.mod xc_atom.mod qs_rho_atom_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod qs_tddfpt2_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod qs_scf_post_gpw.mod cp_fm_basic_linalg.mod util.mod cp_fm_struct.mod base_hooks.mod physcon.mod xtb_matrices.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod xc_pot_saop.mod cp_gemm_interface.mod cp_array_utils.mod cp_fm_cholesky.mod qs_scf_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_tddfpt2_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod xtb_matrices.mod message_passing.mod util.mod qs_scf_post_gpw.mod xc_pot_saop.mod cp_blacs_env.mod qs_scf_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_fm_cholesky.mod physcon.mod cp_dbcsr_operations.mod input_constants.mod cp_array_utils.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_utils.F qs_tddfpt2_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_utils.mod' due to: qs_tddfpt2_utils.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod qs_tddfpt2_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod qs_scf_post_gpw.mod cp_fm_basic_linalg.mod util.mod cp_fm_struct.mod base_hooks.mod physcon.mod xtb_matrices.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod xc_pot_saop.mod cp_gemm_interface.mod cp_array_utils.mod cp_fm_cholesky.mod qs_scf_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_utils.mod' due to: qs_tddfpt2_utils.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_tddfpt2_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod xtb_matrices.mod message_passing.mod util.mod qs_scf_post_gpw.mod xc_pot_saop.mod cp_blacs_env.mod qs_scf_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_fm_cholesky.mod physcon.mod cp_dbcsr_operations.mod input_constants.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_restart.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_restart.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_pool_types.mod cp_para_types.mod cp_fm_types.mod qs_tddfpt2_types.mod kinds.mod cp_files.mod cp_blacs_env.mod message_passing.mod cp_output_handling.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_restart.F qs_tddfpt2_restart.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_restart.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_restart.mod' due to: qs_tddfpt2_restart.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_restart.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_pool_types.mod cp_para_types.mod cp_fm_types.mod qs_tddfpt2_types.mod kinds.mod cp_files.mod cp_blacs_env.mod message_passing.mod cp_output_handling.mod string_utilities.mod cp_log_handling.mod base_hooks.mod cp_fm_basic_linalg.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_eigensolver.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_eigensolver.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cp_fm_types.mod qs_tddfpt2_types.mod cp_para_types.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod qs_tddfpt2_fhxc.mod qs_tddfpt2_utils.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod machine.mod physcon.mod qs_tddfpt2_operators.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_gemm_interface.mod qs_tddfpt2_subgroups.mod qs_scf_methods.mod qs_tddfpt2_restart.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_eigensolver.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_eigensolver.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_tddfpt2_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_tddfpt2_restart.mod qs_tddfpt2_fhxc.mod qs_tddfpt2_subgroups.mod cp_blacs_env.mod machine.mod cp_output_handling.mod memory_utilities.mod qs_scf_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_tddfpt2_operators.mod physcon.mod cp_dbcsr_operations.mod qs_tddfpt2_utils.mod input_constants.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_eigensolver.F qs_tddfpt2_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_eigensolver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_eigensolver.F90 /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_eigensolver.F:390:25: 390 | IF (do_hfx .AND. .NOT. is_stda) THEN | ^ Warning: 'is_stda' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_eigensolver.mod' due to: qs_tddfpt2_eigensolver.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_eigensolver.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cp_fm_types.mod qs_tddfpt2_types.mod cp_para_types.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod qs_tddfpt2_fhxc.mod qs_tddfpt2_utils.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod machine.mod physcon.mod qs_tddfpt2_operators.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_gemm_interface.mod qs_tddfpt2_subgroups.mod qs_scf_methods.mod qs_tddfpt2_restart.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_eigensolver.mod' due to: qs_tddfpt2_eigensolver.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_eigensolver.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_tddfpt2_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_tddfpt2_restart.mod qs_tddfpt2_fhxc.mod qs_tddfpt2_subgroups.mod cp_blacs_env.mod machine.mod cp_output_handling.mod memory_utilities.mod qs_scf_methods.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_tddfpt2_operators.mod physcon.mod cp_dbcsr_operations.mod qs_tddfpt2_utils.mod input_constants.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_properties.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_properties.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod cp_cfm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod qs_tddfpt2_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_blacs_env.mod string_utilities.mod cp_fm_diag.mod cp_dbcsr_operations.mod molden_utils.mod qs_operators_ao.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod bibliography.mod util.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_moments.mod physcon.mod cp_log_handling.mod moments_utils.mod input_constants.mod cp_gemm_interface.mod kahan_sum.mod dbcsr_vector.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_properties.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_properties.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_tddfpt2_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod molden_utils.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod util.mod qs_moments.mod cp_realspace_grid_cube.mod kahan_sum.mod bibliography.mod cp_blacs_env.mod moments_utils.mod cp_output_handling.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod dbcsr_vector.mod cp_cfm_basic_linalg.mod physcon.mod cp_dbcsr_operations.mod qs_collocate_density.mod string_utilities.mod input_constants.mod qs_operators_ao.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_properties.F qs_tddfpt2_properties.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_properties.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_properties.F90 /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_properties.F:654:72: 654 | weights_recv | ^ Warning: 'weights_recv.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_properties.mod' due to: qs_tddfpt2_properties.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_properties.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod cp_cfm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod qs_tddfpt2_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_blacs_env.mod string_utilities.mod cp_fm_diag.mod cp_dbcsr_operations.mod molden_utils.mod qs_operators_ao.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod bibliography.mod util.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_moments.mod physcon.mod cp_log_handling.mod moments_utils.mod input_constants.mod cp_gemm_interface.mod kahan_sum.mod dbcsr_vector.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_properties.mod' due to: qs_tddfpt2_properties.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_properties.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_tddfpt2_types.mod cp_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod molden_utils.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod util.mod qs_moments.mod cp_realspace_grid_cube.mod kahan_sum.mod bibliography.mod cp_blacs_env.mod moments_utils.mod cp_output_handling.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod dbcsr_vector.mod cp_cfm_basic_linalg.mod physcon.mod cp_dbcsr_operations.mod qs_collocate_density.mod string_utilities.mod input_constants.mod qs_operators_ao.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 admm_types.mod cp_fm_pool_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod qs_tddfpt2_types.mod kinds.mod qs_tddfpt2_eigensolver.mod cp_blacs_env.mod string_utilities.mod cp_dbcsr_operations.mod bibliography.mod qs_tddfpt2_densities.mod qs_tddfpt2_utils.mod cp_output_handling.mod qs_tddfpt2_properties.mod base_hooks.mod machine.mod cp_log_handling.mod header.mod input_constants.mod qs_tddfpt2_stda_utils.mod qs_tddfpt2_subgroups.mod qs_scf_methods.mod qs_tddfpt2_restart.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_scf_types.mod qs_tddfpt2_stda_types.mod qs_mo_types.mod admm_types.mod cp_fm_pool_types.mod qs_tddfpt2_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod header.mod cp_log_handling.mod qs_tddfpt2_restart.mod qs_tddfpt2_stda_utils.mod qs_tddfpt2_subgroups.mod qs_tddfpt2_densities.mod bibliography.mod cp_blacs_env.mod machine.mod cp_output_handling.mod qs_tddfpt2_eigensolver.mod qs_scf_methods.mod kinds.mod base_hooks.mod qs_tddfpt2_properties.mod cp_dbcsr_operations.mod qs_tddfpt2_utils.mod string_utilities.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_methods.F qs_tddfpt2_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt2_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_methods.F90 /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_methods.F:262:31: 262 | ALLOCATE (evals(nstates)) @@ -45939,56 +45604,36 @@ 393 | IF (do_admm) CALL tddfpt_release_kernel_env(kernel_env%admm_kernel) | ^ Warning: 'do_admm' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_methods.mod' due to: qs_tddfpt2_methods.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 admm_types.mod cp_fm_pool_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod qs_tddfpt2_types.mod kinds.mod qs_tddfpt2_eigensolver.mod cp_blacs_env.mod string_utilities.mod cp_dbcsr_operations.mod bibliography.mod qs_tddfpt2_densities.mod qs_tddfpt2_utils.mod cp_output_handling.mod qs_tddfpt2_properties.mod base_hooks.mod machine.mod cp_log_handling.mod header.mod input_constants.mod qs_tddfpt2_stda_utils.mod qs_tddfpt2_subgroups.mod qs_scf_methods.mod qs_tddfpt2_restart.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_methods.mod' due to: qs_tddfpt2_methods.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt2_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_scf_types.mod qs_tddfpt2_stda_types.mod qs_mo_types.mod admm_types.mod cp_fm_pool_types.mod qs_tddfpt2_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod header.mod cp_log_handling.mod qs_tddfpt2_restart.mod qs_tddfpt2_stda_utils.mod qs_tddfpt2_subgroups.mod qs_tddfpt2_densities.mod bibliography.mod cp_blacs_env.mod machine.mod cp_output_handling.mod qs_tddfpt2_eigensolver.mod qs_scf_methods.mod kinds.mod base_hooks.mod qs_tddfpt2_properties.mod cp_dbcsr_operations.mod qs_tddfpt2_utils.mod string_utilities.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'et_coupling.o' due to: /build/reproducible-path/cp2k-8.1/src/et_coupling.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod cp_fm_pool_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod cp_log_handling.mod cp_gemm_interface.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/et_coupling.F et_coupling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:33:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' et_coupling.F90 -/build/reproducible-path/cp2k-8.1/src/et_coupling.F:222:23: - - 222 | W_mat(1, 1) = Wbb - | ^ -Warning: 'wbb' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/et_coupling.F:223:23: - - 223 | W_mat(2, 2) = Waa - | ^ -Warning: 'waa' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/et_coupling.F:243:61: - - 243 | a(1) = (energy%total + strength*Wbb)*Sda - strength*Wda - | ^ -Warning: 'strength' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'et_coupling.mod' due to: et_coupling.o /build/reproducible-path/cp2k-8.1/src/et_coupling.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod cp_fm_pool_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod cp_log_handling.mod cp_gemm_interface.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_epr_nablavks.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_nablavks.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod pw_poisson_types.mod qs_linres_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod qs_rho_atom_types.mod qs_oce_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod qs_rho0_types.mod qs_local_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod hartree_local_methods.mod util.mod pw_poisson_methods.mod qs_grid_atom.mod cp_realspace_grid_cube.mod pw_methods.mod qs_gapw_densities.mod cp_output_handling.mod mathconstants.mod kinds.mod qs_vxc.mod base_hooks.mod qs_ks_methods.mod qs_harmonics_atom.mod qs_vxc_atom.mod qs_rho_atom_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_nablavks.F qs_linres_epr_nablavks.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_epr_nablavks.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_epr_nablavks.mod' due to: qs_linres_epr_nablavks.o /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_nablavks.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod pw_poisson_types.mod qs_linres_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_ks_types.mod qs_rho_atom_types.mod qs_oce_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod qs_rho0_types.mod qs_local_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod hartree_local_methods.mod util.mod pw_poisson_methods.mod qs_grid_atom.mod cp_realspace_grid_cube.mod pw_methods.mod qs_gapw_densities.mod cp_output_handling.mod mathconstants.mod kinds.mod qs_vxc.mod base_hooks.mod qs_ks_methods.mod qs_harmonics_atom.mod qs_vxc_atom.mod qs_rho_atom_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_issc_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_issc_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod qs_p_env_types.mod kinds.mod qs_spin_orbit.mod cp_dbcsr_operations.mod qs_linres_methods.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod physcon.mod particle_methods.mod cp_log_handling.mod memory_utilities.mod qs_fermi_contact.mod cp_dbcsr_cp2k_link.mod qs_elec_field.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_issc_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_issc_utils.mod' due to: qs_linres_issc_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_issc_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod qs_p_env_types.mod kinds.mod qs_spin_orbit.mod cp_dbcsr_operations.mod qs_linres_methods.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod physcon.mod particle_methods.mod cp_log_handling.mod memory_utilities.mod qs_fermi_contact.mod cp_dbcsr_cp2k_link.mod qs_elec_field.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_nmr_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_control_types.mod scf_control_types.mod cp_parser_types.mod particle_types.mod pw_env_types.mod cell_types.mod qs_linres_types.mod qs_environment_types.mod cp_units.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_parser_methods.mod qs_matrix_pools.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_nmr_utils.mod' due to: qs_linres_nmr_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_control_types.mod scf_control_types.mod cp_parser_types.mod particle_types.mod pw_env_types.mod cell_types.mod qs_linres_types.mod qs_environment_types.mod cp_units.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_parser_methods.mod qs_matrix_pools.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_epr_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod cell_types.mod qs_mo_types.mod scf_control_types.mod pw_pool_types.mod pw_types.mod kinds.mod cp_output_handling.mod base_hooks.mod mathconstants.mod qs_matrix_pools.mod physcon.mod cp_log_handling.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_epr_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_kind_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod qs_matrix_pools.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_epr_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_epr_utils.mod' due to: qs_linres_epr_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod cell_types.mod qs_mo_types.mod scf_control_types.mod pw_pool_types.mod pw_types.mod kinds.mod cp_output_handling.mod base_hooks.mod mathconstants.mod qs_matrix_pools.mod physcon.mod cp_log_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_epr_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_epr_utils.mod' due to: qs_linres_epr_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_kind_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod qs_matrix_pools.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_polar_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_polar_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_linres_types.mod force_env_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod qs_p_env_types.mod kinds.mod qs_linres_methods.mod cp_fm_basic_linalg.mod bibliography.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod qs_matrix_pools.mod physcon.mod cp_log_handling.mod cp_result_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_polar_utils.F qs_linres_polar_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_polar_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_polar_utils.mod' due to: qs_linres_polar_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_polar_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_linres_types.mod force_env_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod qs_p_env_types.mod kinds.mod qs_linres_methods.mod cp_fm_basic_linalg.mod bibliography.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod qs_matrix_pools.mod physcon.mod cp_log_handling.mod cp_result_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_issc_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_issc_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_spin_orbit.mod cp_dbcsr_cp2k_link.mod mathlib.mod particle_methods.mod cp_output_handling.mod qs_linres_methods.mod memory_utilities.mod cp_fm_struct.mod kinds.mod qs_elec_field.mod base_hooks.mod physcon.mod qs_matrix_pools.mod cp_dbcsr_operations.mod qs_fermi_contact.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_issc_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_issc_utils.mod' due to: qs_linres_issc_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_issc_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_spin_orbit.mod cp_dbcsr_cp2k_link.mod mathlib.mod particle_methods.mod cp_output_handling.mod qs_linres_methods.mod memory_utilities.mod cp_fm_struct.mod kinds.mod qs_elec_field.mod base_hooks.mod physcon.mod qs_matrix_pools.mod cp_dbcsr_operations.mod qs_fermi_contact.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_nmr_epr_common_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_epr_common_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_types.mod cell_types.mod kinds.mod pw_methods.mod base_hooks.mod mathconstants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_nmr_epr_common_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_epr_common_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_pool_types.mod cell_types.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_epr_common_utils.F qs_linres_nmr_epr_common_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_nmr_epr_common_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_nmr_epr_common_utils.mod' due to: qs_linres_nmr_epr_common_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_epr_common_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_types.mod cell_types.mod kinds.mod pw_methods.mod base_hooks.mod mathconstants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_epr_ownutils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_ownutils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod cell_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_core_energies.mod message_passing.mod qs_harmonics_atom.mod util.mod cp_output_handling.mod base_hooks.mod pw_methods.mod cp_log_handling.mod qs_linres_op.mod pw_spline_utils.mod qs_linres_nmr_epr_common_utils.mod qs_grid_atom.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_epr_ownutils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_epr_ownutils.mod' due to: qs_linres_epr_ownutils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_ownutils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod cell_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod qs_core_energies.mod message_passing.mod qs_harmonics_atom.mod util.mod cp_output_handling.mod base_hooks.mod pw_methods.mod cp_log_handling.mod qs_linres_op.mod pw_spline_utils.mod qs_linres_nmr_epr_common_utils.mod qs_grid_atom.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_epr_common_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_nmr_epr_common_utils.mod' due to: qs_linres_nmr_epr_common_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_epr_common_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod pw_pool_types.mod cell_types.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_nmr_shift.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_shift.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod message_passing.mod qs_harmonics_atom.mod util.mod cp_output_handling.mod base_hooks.mod mathconstants.mod pw_methods.mod cp_log_handling.mod qs_linres_op.mod pw_spline_utils.mod qs_linres_nmr_epr_common_utils.mod qs_grid_atom.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_nmr_shift.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_shift.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod qs_linres_op.mod message_passing.mod util.mod qs_grid_atom.mod pw_methods.mod mathlib.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod pw_spline_utils.mod qs_linres_nmr_epr_common_utils.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_shift.F qs_linres_nmr_shift.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_nmr_shift.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_shift.F90 /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_shift.F:1005:33: 1005 | DEALLOCATE (cs_nics_tot) @@ -45999,164 +45644,257 @@ 267 | n_nics, na, natom, natom_local, natom_tot, nkind, nnics_local, nr, nra, nspins, num_pe, & | ^ Warning: 'nnics_local' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_nmr_shift.mod' due to: qs_linres_nmr_shift.o /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_shift.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod message_passing.mod qs_harmonics_atom.mod util.mod cp_output_handling.mod base_hooks.mod mathconstants.mod pw_methods.mod cp_log_handling.mod qs_linres_op.mod pw_spline_utils.mod qs_linres_nmr_epr_common_utils.mod qs_grid_atom.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_nmr_shift.mod' due to: qs_linres_nmr_shift.o /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_shift.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod qs_linres_op.mod message_passing.mod util.mod qs_grid_atom.mod pw_methods.mod mathlib.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod pw_spline_utils.mod qs_linres_nmr_epr_common_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_epr_nablavks.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_nablavks.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod qs_subsys_types.mod external_potential_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod particle_list_types.mod qs_neighbor_list_types.mod qs_rho0_types.mod cell_types.mod qs_oce_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod qs_local_rho_types.mod kinds.mod qs_rho_atom_methods.mod qs_harmonics_atom.mod util.mod cp_output_handling.mod qs_vxc_atom.mod base_hooks.mod mathconstants.mod hartree_local_methods.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod qs_ks_methods.mod qs_vxc.mod cp_realspace_grid_cube.mod qs_gapw_densities.mod qs_grid_atom.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_nablavks.F qs_linres_epr_nablavks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_epr_nablavks.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_epr_nablavks.mod' due to: qs_linres_epr_nablavks.o /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_nablavks.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod qs_subsys_types.mod external_potential_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_atom_types.mod input_section_types.mod particle_list_types.mod qs_neighbor_list_types.mod qs_rho0_types.mod cell_types.mod qs_oce_types.mod pw_pool_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod qs_local_rho_types.mod kinds.mod qs_rho_atom_methods.mod qs_harmonics_atom.mod util.mod cp_output_handling.mod qs_vxc_atom.mod base_hooks.mod mathconstants.mod hartree_local_methods.mod pw_poisson_methods.mod pw_methods.mod cp_log_handling.mod qs_ks_methods.mod qs_vxc.mod cp_realspace_grid_cube.mod qs_gapw_densities.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_polar_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_polar_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod cp_control_types.mod force_env_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod bibliography.mod machine.mod cp_output_handling.mod qs_linres_methods.mod mathconstants.mod cp_fm_struct.mod kinds.mod base_hooks.mod physcon.mod qs_matrix_pools.mod cp_result_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_polar_utils.F qs_linres_polar_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_polar_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_polar_utils.mod' due to: qs_linres_polar_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_polar_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod cp_control_types.mod force_env_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod bibliography.mod machine.mod cp_output_handling.mod qs_linres_methods.mod mathconstants.mod cp_fm_struct.mod kinds.mod base_hooks.mod physcon.mod qs_matrix_pools.mod cp_result_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_epr_ownutils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_ownutils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod qs_linres_op.mod qs_core_energies.mod message_passing.mod util.mod qs_grid_atom.mod pw_methods.mod mathlib.mod cp_output_handling.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod pw_spline_utils.mod qs_linres_nmr_epr_common_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_epr_ownutils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_epr_ownutils.mod' due to: qs_linres_epr_ownutils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_epr_ownutils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod cp_log_handling.mod qs_linres_op.mod qs_core_energies.mod message_passing.mod util.mod qs_grid_atom.mod pw_methods.mod mathlib.mod cp_output_handling.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod pw_spline_utils.mod qs_linres_nmr_epr_common_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_current_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_current_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod qs_p_env_types.mod kinds.mod cp_dbcsr_operations.mod qs_operators_ao.mod qs_linres_methods.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod particle_methods.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod qs_linres_op.mod input_constants.mod cp_array_utils.mod qs_loc_methods.mod cp_dbcsr_cp2k_link.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_current_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_current_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_linres_op.mod cp_dbcsr_cp2k_link.mod pw_methods.mod particle_methods.mod cp_output_handling.mod qs_linres_methods.mod memory_utilities.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_matrix_pools.mod cp_dbcsr_operations.mod input_constants.mod qs_operators_ao.mod cp_array_utils.mod qs_loc_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_current_utils.F qs_linres_current_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_current_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_current_utils.F90 /build/reproducible-path/cp2k-8.1/src/qs_linres_current_utils.F:1152:56: 1152 | state_done(idir, istate_next) = .TRUE. | ^ Warning: 'istate_next' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_current_utils.mod' due to: qs_linres_current_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_current_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_loc_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod pw_pool_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod qs_p_env_types.mod kinds.mod cp_dbcsr_operations.mod qs_operators_ao.mod qs_linres_methods.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod particle_methods.mod pw_methods.mod cp_log_handling.mod memory_utilities.mod qs_linres_op.mod input_constants.mod cp_array_utils.mod qs_loc_methods.mod cp_dbcsr_cp2k_link.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_nmr_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod input_section_types.mod cp_parser_types.mod particle_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod pw_env_types.mod scf_control_types.mod kinds.mod cp_parser_methods.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod qs_matrix_pools.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_nmr_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_nmr_utils.mod' due to: qs_linres_nmr_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_nmr_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod input_section_types.mod cp_parser_types.mod particle_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod pw_env_types.mod scf_control_types.mod kinds.mod cp_parser_methods.mod cp_output_handling.mod cp_units.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod qs_matrix_pools.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_current_utils.mod' due to: qs_linres_current_utils.o /build/reproducible-path/cp2k-8.1/src/qs_linres_current_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_loc_types.mod qs_linres_types.mod qs_p_env_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_linres_op.mod cp_dbcsr_cp2k_link.mod pw_methods.mod particle_methods.mod cp_output_handling.mod qs_linres_methods.mod memory_utilities.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_matrix_pools.mod cp_dbcsr_operations.mod input_constants.mod qs_operators_ao.mod cp_array_utils.mod qs_loc_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_module.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_module.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_linres_types.mod force_env_types.mod qs_rho_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_mo_types.mod qs_p_env_types.mod qs_linres_issc_utils.mod qs_linres_epr_utils.mod qs_linres_current.mod qs_linres_methods.mod qs_linres_polar_utils.mod qs_linres_epr_ownutils.mod bibliography.mod qs_rho_methods.mod cp_output_handling.mod qs_p_env_methods.mod qs_mo_methods.mod qs_linres_nmr_shift.mod base_hooks.mod qs_linres_epr_nablavks.mod cp_log_handling.mod qs_linres_current_utils.mod qs_linres_op.mod input_constants.mod qs_linres_nmr_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_linres_module.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_linres_module.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_linres_types.mod qs_p_env_types.mod qs_mo_types.mod cp_control_types.mod qs_rho_types.mod force_env_types.mod qs_environment_types.mod cp_log_handling.mod qs_linres_op.mod qs_linres_epr_nablavks.mod qs_linres_nmr_utils.mod bibliography.mod cp_output_handling.mod qs_linres_methods.mod qs_rho_methods.mod qs_linres_epr_utils.mod qs_linres_issc_utils.mod qs_linres_nmr_shift.mod base_hooks.mod qs_linres_current.mod qs_linres_polar_utils.mod qs_p_env_methods.mod qs_mo_methods.mod qs_linres_epr_ownutils.mod input_constants.mod qs_linres_current_utils.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_linres_module.F qs_linres_module.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_linres_module.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_module.mod' due to: qs_linres_module.o /build/reproducible-path/cp2k-8.1/src/qs_linres_module.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_linres_types.mod force_env_types.mod qs_rho_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_mo_types.mod qs_p_env_types.mod qs_linres_issc_utils.mod qs_linres_epr_utils.mod qs_linres_current.mod qs_linres_methods.mod qs_linres_polar_utils.mod qs_linres_epr_ownutils.mod bibliography.mod qs_rho_methods.mod cp_output_handling.mod qs_p_env_methods.mod qs_mo_methods.mod qs_linres_nmr_shift.mod base_hooks.mod qs_linres_epr_nablavks.mod cp_log_handling.mod qs_linres_current_utils.mod qs_linres_op.mod input_constants.mod qs_linres_nmr_utils.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_module.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_linres_module.mod' due to: qs_linres_module.o /build/reproducible-path/cp2k-8.1/src/qs_linres_module.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_linres_types.mod qs_p_env_types.mod qs_mo_types.mod cp_control_types.mod qs_rho_types.mod force_env_types.mod qs_environment_types.mod cp_log_handling.mod qs_linres_op.mod qs_linres_epr_nablavks.mod qs_linres_nmr_utils.mod bibliography.mod cp_output_handling.mod qs_linres_methods.mod qs_rho_methods.mod qs_linres_epr_utils.mod qs_linres_issc_utils.mod qs_linres_nmr_shift.mod base_hooks.mod qs_linres_current.mod qs_linres_polar_utils.mod qs_p_env_methods.mod qs_mo_methods.mod qs_linres_epr_ownutils.mod input_constants.mod qs_linres_current_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_ri_libint.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_libint.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod mp2_types.mod hfx_types.mod cell_types.mod cp_fm_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod orbital_pointers.mod cp_fm_basic_linalg.mod cp_files.mod cp_fm_struct.mod hfx_pair_list_methods.mod base_hooks.mod input_constants.mod hfx_energy_potential.mod cp_fm_cholesky.mod libint_wrapper.mod hfx_screening_methods.mod t_sh_p_s_c.mod gamma.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_ri_libint.F mp2_ri_libint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_ri_libint.F90 -/build/reproducible-path/cp2k-8.1/src/mp2_ri_libint.F:1311:3: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'group_dist_types.o' due to: /build/reproducible-path/cp2k-8.1/src/group_dist_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/group_dist_types.F group_dist_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' group_dist_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'group_dist_types.mod' due to: group_dist_types.o /build/reproducible-path/cp2k-8.1/src/group_dist_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod util.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_ri_grad_util.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod group_dist_types.mod cp_para_types.mod mp2_types.mod util.mod cp_gemm_interface.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod message_passing.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad_util.F mp2_ri_grad_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_ri_grad_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_ri_grad_util.mod' due to: mp2_ri_grad_util.o /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod group_dist_types.mod cp_para_types.mod mp2_types.mod util.mod cp_gemm_interface.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod message_passing.mod cp_blacs_env.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_communication.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_communication.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod group_dist_types.mod cp_para_types.mod mp2_types.mod util.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod mp2_ri_grad_util.mod message_passing.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_communication.F rpa_communication.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:40:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_communication.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_communication.mod' due to: rpa_communication.o /build/reproducible-path/cp2k-8.1/src/rpa_communication.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod group_dist_types.mod cp_para_types.mod mp2_types.mod util.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod mp2_ri_grad_util.mod message_passing.mod cp_blacs_env.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_gw_im_time_util.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_gw_im_time_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod qs_tensors_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod message_passing.mod particle_methods.mod kinds.mod base_hooks.mod qs_tensors.mod cp_dbcsr_operations.mod qs_integral_utils.mod rpa_communication.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_gw_im_time_util.F rpa_gw_im_time_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_gw_im_time_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_gw_im_time_util.mod' due to: rpa_gw_im_time_util.o /build/reproducible-path/cp2k-8.1/src/rpa_gw_im_time_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod qs_tensors_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod message_passing.mod particle_methods.mod kinds.mod base_hooks.mod qs_tensors.mod cp_dbcsr_operations.mod qs_integral_utils.mod rpa_communication.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_gw.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_gw.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod basis_set_types.mod qs_tensors_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod message_passing.mod qs_moments.mod qs_band_structure.mod rpa_gw_im_time_util.mod qs_neighbor_lists.mod mathconstants.mod qs_overlap.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_gamma2kp.mod cp_fm_cholesky.mod physcon.mod qs_tensors.mod cp_files.mod cp_dbcsr_operations.mod qs_integral_utils.mod input_constants.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_gw.F rpa_gw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_gw.F90 +/build/reproducible-path/cp2k-8.1/src/rpa_gw.F:2959:63: - 1311 | FUNCTION calc_cond_num(matrix, size_matrix) RESULT(cond_num) - | ^ -Warning: 'calc_cond_num' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_ri_libint.mod' due to: mp2_ri_libint.o /build/reproducible-path/cp2k-8.1/src/mp2_ri_libint.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod mp2_types.mod hfx_types.mod cell_types.mod cp_fm_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod orbital_pointers.mod cp_fm_basic_linalg.mod cp_files.mod cp_fm_struct.mod hfx_pair_list_methods.mod base_hooks.mod input_constants.mod hfx_energy_potential.mod cp_fm_cholesky.mod libint_wrapper.mod hfx_screening_methods.mod t_sh_p_s_c.mod gamma.mod + 2959 | /REAL(degeneracy, KIND=dp) + | ^ +Warning: 'first_degenerate_level' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/rpa_gw.F:3904:49: + + 3904 | qp_energy = qp_energy_old + 0.5_dp*delta + | ^ +Warning: 'level_energ_gw' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/rpa_gw.F:3510:95: + + 3510 | REAL(KIND=dp) :: e_fermi, energy_val, level_energ_GW, & + | ^ +note: 'level_energ_gw' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_gw.mod' due to: rpa_gw.o /build/reproducible-path/cp2k-8.1/src/rpa_gw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod basis_set_types.mod qs_tensors_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod message_passing.mod qs_moments.mod qs_band_structure.mod rpa_gw_im_time_util.mod qs_neighbor_lists.mod mathconstants.mod qs_overlap.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_gamma2kp.mod cp_fm_cholesky.mod physcon.mod qs_tensors.mod cp_files.mod cp_dbcsr_operations.mod qs_integral_utils.mod input_constants.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_direct_method.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_environment_types.mod mp2_types.mod cell_types.mod cp_para_types.mod hfx_types.mod kinds.mod hfx_load_balance_methods.mod message_passing.mod mp2_ri_libint.mod orbital_pointers.mod hfx_pair_list_methods.mod base_hooks.mod mathconstants.mod cp_log_handling.mod input_constants.mod hfx_energy_potential.mod libint_wrapper.mod t_sh_p_s_c.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F mp2_direct_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:34:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_direct_method.F90 -/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:978:64: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_gw_ic.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod qs_tensors_types.mod mp2_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod rpa_communication.mod message_passing.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F rpa_gw_ic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_gw_ic.F90 +/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:298:32: - 978 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec - | ^ -Warning: 's_offset_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:977:93: + 298 | SUBROUTINE print_Neaton_value(fm_mat_M_occ, unit_nr, gw_corr_lev_occ, para_env, do_homo, do_lumo) + | ^ +Warning: 'print_neaton_value' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:359:31: - 977 | index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, & - | ^ -Warning: 'r_offset_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:742:87: + 359 | SUBROUTINE update_coeff_homo(coeff_homo, fm_mat_U_occ, para_env, homo, gw_corr_lev_occ, do_lumo) + | ^ +Warning: 'update_coeff_homo' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:439:32: - 742 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec) - | ^ -Warning: 'ssize_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:742:87: Warning: 's_offset_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:125:86: + 439 | SUBROUTINE fill_fm_mat_M_virt(fm_mat_M_virt, mat_N_virt_dbcsr, matrix_s, Eigenval, gw_corr_lev_virt, homo, para_env) + | ^ +Warning: 'fill_fm_mat_m_virt' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:681:31: - 125 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & - | ^ -Warning: 'rsize_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:125:75: + 681 | SUBROUTINE fill_fm_mat_M_occ(fm_mat_M_occ, mat_N_occ_dbcsr, matrix_s, Eigenval, gw_corr_lev_occ, homo, para_env) + | ^ +Warning: 'fill_fm_mat_m_occ' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:946:34: - 125 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & - | ^ -Warning: 'r_offset_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:569:81: + 946 | SUBROUTINE fill_coeff_dbcsr_occ(coeff_dbcsr, coeff, homo) + | ^ +Warning: 'fill_coeff_dbcsr_occ' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:992:35: - 569 | cost_RS(global_counter) = cost_RS(global_counter) + cost_tmp - | ^ -Warning: 'global_counter' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_direct_method.mod' due to: mp2_direct_method.o /build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_environment_types.mod mp2_types.mod cell_types.mod cp_para_types.mod hfx_types.mod kinds.mod hfx_load_balance_methods.mod message_passing.mod mp2_ri_libint.mod orbital_pointers.mod hfx_pair_list_methods.mod base_hooks.mod mathconstants.mod cp_log_handling.mod input_constants.mod hfx_energy_potential.mod libint_wrapper.mod t_sh_p_s_c.mod + 992 | SUBROUTINE fill_coeff_dbcsr_virt(coeff_dbcsr, coeff, homo) + | ^ +Warning: 'fill_coeff_dbcsr_virt' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_gw_ic.mod' due to: rpa_gw_ic.o /build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod qs_tensors_types.mod mp2_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod rpa_communication.mod message_passing.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'group_dist_types.o' due to: /build/reproducible-path/cp2k-8.1/src/group_dist_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod util.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/group_dist_types.F group_dist_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:35:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' group_dist_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'group_dist_types.mod' due to: group_dist_types.o /build/reproducible-path/cp2k-8.1/src/group_dist_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod util.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_axk.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_axk.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_energy_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod hfx_energy_potential.mod util.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod rpa_communication.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_axk.F rpa_axk.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_axk.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_axk.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_axk.mod' due to: rpa_axk.o /build/reproducible-path/cp2k-8.1/src/rpa_axk.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod qs_energy_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod hfx_energy_potential.mod util.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod rpa_communication.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_eri_gpw.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_eri_gpw.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod pw_pool_types.mod task_list_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod ao_util.mod qs_collocate_density.mod message_passing.mod orbital_pointers.mod gaussian_gridlevels.mod qs_integrate_potential.mod base_hooks.mod task_list_methods.mod pw_poisson_methods.mod pw_methods.mod input_constants.mod pw_env_methods.mod rs_pw_interface.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_eri_gpw.F mp2_eri_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:35:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_eri_gpw.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_eri_gpw.mod' due to: mp2_eri_gpw.o /build/reproducible-path/cp2k-8.1/src/mp2_eri_gpw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_env_types.mod qs_kind_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod pw_pool_types.mod task_list_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod ao_util.mod qs_collocate_density.mod message_passing.mod orbital_pointers.mod gaussian_gridlevels.mod qs_integrate_potential.mod base_hooks.mod task_list_methods.mod pw_poisson_methods.mod pw_methods.mod input_constants.mod pw_env_methods.mod rs_pw_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'bse.o' due to: /build/reproducible-path/cp2k-8.1/src/bse.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod group_dist_types.mod cp_para_types.mod mp2_types.mod cp_gemm_interface.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod rpa_communication.mod message_passing.mod cp_fm_cholesky.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/bse.F bse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' bse.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'bse.mod' due to: bse.o /build/reproducible-path/cp2k-8.1/src/bse.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod group_dist_types.mod cp_para_types.mod mp2_types.mod cp_gemm_interface.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod rpa_communication.mod message_passing.mod cp_fm_cholesky.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_gpw_method.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod group_dist_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod mp2_eri_gpw.mod qs_integrate_potential.mod cp_fm_struct.mod base_hooks.mod machine.mod cp_para_env.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F mp2_gpw_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:35:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_gpw_method.F90 -/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:162:65: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_laplace.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_laplace.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_laplace.F mp2_laplace.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_laplace.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_laplace.mod' due to: mp2_laplace.o /build/reproducible-path/cp2k-8.1/src/mp2_laplace.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_im_time.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_im_time.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod cp_fm_types.mod qs_mo_types.mod hfx_types.mod cp_para_types.mod cp_control_types.mod qs_tensors_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod message_passing.mod machine.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_tensors.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_im_time.F rpa_im_time.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_im_time.F90 +/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:370:52: - 162 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send - | ^ -Warning: 'bib_c.dim[2].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:162:65: Warning: 'bib_c.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:162:65: Warning: 'bib_c.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:776:91: + 370 | occ_O = occ_O + occ + | ^ +Warning: 'occ_o' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:452:56: - 776 | BIb_jb(j_global - my_B_virtual_start + 1, i_global) = rec_BI(iiB, jjB) - | ^ -Warning: 'bib_c.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:162:65: + 452 | occ_M_virt = occ_M_virt + occ + | ^ +Warning: 'occ_m_virt' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:407:54: - 162 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send - | ^ -note: 'bib_c.dim[1].stride' was declared here -/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:438:36: + 407 | occ_M_occ = occ_M_occ + occ + | ^ +Warning: 'occ_m_occ' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:369:52: - 438 | IF (calc_ex) BIb_C = 0.0_dp - | ^ -Warning: 'bib_c.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:162:65: + 369 | nze_O = nze_O + nze + | ^ +Warning: 'nze_o' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:451:56: - 162 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send - | ^ -Warning: 'bib_c.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:381:68: + 451 | nze_M_virt = nze_M_virt + nze + | ^ +Warning: 'nze_m_virt' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:406:54: - 381 | sub_sub_color = color_array(para_env_sub%mepos, my_q_position) - | ^ -Warning: 'my_q_position' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:335:94: + 406 | nze_M_occ = nze_M_occ + nze + | ^ +Warning: 'nze_m_occ' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_im_time.mod' due to: rpa_im_time.o /build/reproducible-path/cp2k-8.1/src/rpa_im_time.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod cp_fm_types.mod qs_mo_types.mod hfx_types.mod cp_para_types.mod cp_control_types.mod qs_tensors_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod message_passing.mod machine.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_tensors.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_gw_kpoints.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod cp_fm_types.mod cp_cfm_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod message_passing.mod mathlib.mod particle_methods.mod mathconstants.mod kinds.mod base_hooks.mod rpa_im_time.mod cp_cfm_basic_linalg.mod cp_dbcsr_operations.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F rpa_gw_kpoints.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_gw_kpoints.F90 +/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:793:33: - 335 | my_I_occupied_end = my_I_occupied_start + vector_batch_I_size_group(i_group_counter) - 1 - | ^ -Warning: 'i_group_counter' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_gpw_method.mod' due to: mp2_gpw_method.o /build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod group_dist_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod kinds.mod qs_collocate_density.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod mp2_eri_gpw.mod qs_integrate_potential.mod cp_fm_struct.mod base_hooks.mod machine.mod cp_para_env.mod + 793 | SUBROUTINE trace_for_self_ener(mat_contr_W_re, mat_contr_W_im, n_level_gw, jquad, & + | ^ +Warning: 'trace_for_self_ener' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:916:45: + + 916 | SUBROUTINE trafo_I_T_R1_plus_S2_to_M_R1_S2(mat_I_muP_occ_re, mat_I_muP_virt_re, & + | ^ +Warning: 'trafo_i_t_r1_plus_s2_to_m_r1_s2' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:1024:34: + + 1024 | SUBROUTINE compute_G_real_space(mat_dm_occ_S, mat_dm_virt_S, qs_env, num_integ_points, & + | ^ +Warning: 'compute_g_real_space' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:1105:51: + + 1105 | SUBROUTINE compute_cell_vec_for_R1_plus_S2_or_R1(index_to_cell_R1_plus_S2, cell_to_index_3c, & + | ^ +Warning: 'compute_cell_vec_for_r1_plus_s2_or_r1' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:1213:37: + + 1213 | SUBROUTINE compute_cell_vec_for_R2(index_to_cell_R2, cell_to_index_R2, num_cells_R2, unit_nr, & + | ^ +Warning: 'compute_cell_vec_for_r2' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:301:81: + + 301 | weight_im*AIMAG(cfm_mat_work_2%local_data(irow, jcol)) + | ^ +Warning: 'weight_re' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:301:81: Warning: 'weight_im' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_gw_kpoints.mod' due to: rpa_gw_kpoints.o /build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod cp_fm_types.mod cp_cfm_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod message_passing.mod mathlib.mod particle_methods.mod mathconstants.mod kinds.mod base_hooks.mod rpa_im_time.mod cp_cfm_basic_linalg.mod cp_dbcsr_operations.mod qs_integral_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_ri_grad_util.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod cp_gemm_interface.mod kinds.mod util.mod message_passing.mod cp_blacs_env.mod cp_fm_struct.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad_util.F mp2_ri_grad_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:35:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_ri_grad_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_ri_grad_util.mod' due to: mp2_ri_grad_util.o /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod cp_gemm_interface.mod kinds.mod util.mod message_passing.mod cp_blacs_env.mod cp_fm_struct.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_util.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod cp_fm_types.mod cp_cfm_types.mod hfx_types.mod cp_para_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod message_passing.mod mp2_laplace.mod rpa_gw_kpoints.mod cp_blacs_env.mod machine.mod cp_para_env.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod input_constants.mod rpa_communication.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_util.F rpa_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_util.mod' due to: rpa_util.o /build/reproducible-path/cp2k-8.1/src/rpa_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod cp_fm_types.mod cp_cfm_types.mod hfx_types.mod cp_para_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod message_passing.mod mp2_laplace.mod rpa_gw_kpoints.mod cp_blacs_env.mod machine.mod cp_para_env.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod input_constants.mod rpa_communication.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_ri_gpw.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod kinds.mod cp_para_env.mod message_passing.mod base_hooks.mod machine.mod mp2_ri_grad_util.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F mp2_ri_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:35:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_ri_gpw.F90 -/build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F:2582:68: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minimax_exp_gw.o' due to: /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F minimax_exp_gw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/minimax/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minimax_exp_gw.F90 +/build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F:79:10: - 2582 | para_env_exchange%group) - | ^ -Warning: 'send_k' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F:2551:65: + 79 | IF (E_ratio > 1.5_dp) THEN + | ^ +Warning: 'e_ratio' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F:45:67: - 2551 | para_env_exchange%group) - | ^ -Warning: 'send_j' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F:2524:65: + 45 | REAL(KIND=dp) :: E_ratio + | ^ +note: 'e_ratio' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minimax_exp_gw.mod' due to: minimax_exp_gw.o /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minimax_rpa.o' due to: /build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F minimax_rpa.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/reproducible-path/cp2k-8.1/src/minimax/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minimax_rpa.F90 +/build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F:10164:33: - 2524 | para_env_exchange%group) - | ^ -Warning: 'send_i' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F:719:45: +10164 | E_ratio = E_ratio/1.5_dp + | ^ +Warning: 'e_ratio' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F:10129:67: - 719 | ALLOCATE (gd_array%sizes(0:iiB - 1)) - | ^ -Warning: 'MEM[(struct array01_integer(kind=4) &)&sizes_array_orig].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_ri_gpw.mod' due to: mp2_ri_gpw.o /build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod kinds.mod cp_para_env.mod message_passing.mod base_hooks.mod machine.mod mp2_ri_grad_util.mod +10129 | REAL(KIND=dp) :: E_ratio + | ^ +note: 'e_ratio' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minimax_rpa.mod' due to: minimax_rpa.o /build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_grids.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_grids.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kpoint_types.mod cp_para_types.mod qs_mo_types.mod qs_environment_types.mod mp2_types.mod cp_para_env.mod mathconstants.mod kinds.mod minimax_exp_gw.mod minimax_exp.mod minimax_rpa.mod base_hooks.mod message_passing.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_grids.F mp2_grids.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_grids.F90 +/build/reproducible-path/cp2k-8.1/src/mp2_grids.F:489:10: + + 489 | IF (ABS(left_term + right_term) >= conv_param) THEN + | ^ +Warning: 'left_term' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_grids.F:490:13: + + 490 | IF (a_scaling >= 2*num_integ_points*step) THEN + | ^ +Warning: 'a_scaling' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_grids.mod' due to: mp2_grids.o /build/reproducible-path/cp2k-8.1/src/mp2_grids.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kpoint_types.mod cp_para_types.mod qs_mo_types.mod qs_environment_types.mod mp2_types.mod cp_para_env.mod mathconstants.mod kinds.mod minimax_exp_gw.mod minimax_exp.mod minimax_rpa.mod base_hooks.mod message_passing.mod machine.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_kpoints.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_kpoints.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod kpoint_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_environment_types.mod mathconstants.mod kinds.mod cp_dbcsr_operations.mod message_passing.mod rpa_gw_kpoints.mod base_hooks.mod rpa_im_time.mod cp_cfm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_kpoints.F rpa_kpoints.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_kpoints.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_kpoints.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_kpoints.mod' due to: rpa_kpoints.o /build/reproducible-path/cp2k-8.1/src/rpa_kpoints.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod kpoint_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_environment_types.mod mathconstants.mod kinds.mod cp_dbcsr_operations.mod message_passing.mod rpa_gw_kpoints.mod base_hooks.mod rpa_im_time.mod cp_cfm_basic_linalg.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_main.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod group_dist_types.mod cp_fm_types.mod cp_cfm_types.mod hfx_types.mod cp_para_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod rpa_gw.mod mp2_ri_grad_util.mod message_passing.mod util.mod rpa_gw_ic.mod rpa_axk.mod bse.mod rpa_util.mod bibliography.mod mp2_laplace.mod cp_blacs_env.mod machine.mod cp_para_env.mod mathconstants.mod cp_fm_struct.mod kinds.mod base_hooks.mod rpa_im_time.mod mp2_grids.mod minimax_exp.mod rpa_kpoints.mod input_constants.mod rpa_communication.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_main.F rpa_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_main.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_main.mod' due to: rpa_main.o /build/reproducible-path/cp2k-8.1/src/rpa_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kpoint_types.mod group_dist_types.mod cp_fm_types.mod cp_cfm_types.mod hfx_types.mod cp_para_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod rpa_gw.mod mp2_ri_grad_util.mod message_passing.mod util.mod rpa_gw_ic.mod rpa_axk.mod bse.mod rpa_util.mod bibliography.mod mp2_laplace.mod cp_blacs_env.mod machine.mod cp_para_env.mod mathconstants.mod cp_fm_struct.mod kinds.mod base_hooks.mod rpa_im_time.mod mp2_grids.mod minimax_exp.mod rpa_kpoints.mod input_constants.mod rpa_communication.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_eri.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_eri.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod eri_mme_types.mod cell_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod ai_contraction_sphi.mod ai_coulomb.mod orbital_pointers.mod util.mod cp_eri_mme_interface.mod base_hooks.mod eri_mme_test.mod eri_mme_integrate.mod input_constants.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_eri.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_eri.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod eri_mme_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod eri_mme_test.mod util.mod cp_eri_mme_interface.mod orbital_pointers.mod ai_coulomb.mod kinds.mod base_hooks.mod eri_mme_integrate.mod ai_contraction_sphi.mod qs_integral_utils.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_eri.F mp2_eri.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:35:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_eri.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:41:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_eri.F90 /build/reproducible-path/cp2k-8.1/src/mp2_eri.F:1381:71: 1381 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) @@ -46445,248 +46183,11 @@ 744 | IF (jatom /= last_jatom) THEN | ^ Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_eri.mod' due to: mp2_eri.o /build/reproducible-path/cp2k-8.1/src/mp2_eri.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod eri_mme_types.mod cell_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod ai_contraction_sphi.mod ai_coulomb.mod orbital_pointers.mod util.mod cp_eri_mme_interface.mod base_hooks.mod eri_mme_test.mod eri_mme_integrate.mod input_constants.mod qs_integral_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_ri_grad.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cell_types.mod cp_fm_types.mod pw_pool_types.mod task_list_types.mod virial_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod ao_util.mod qs_collocate_density.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod orbital_pointers.mod gaussian_gridlevels.mod mp2_eri_gpw.mod util.mod cp_eri_mme_interface.mod qs_integrate_potential.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod pw_poisson_methods.mod cp_para_env.mod pw_methods.mod input_constants.mod cp_gemm_interface.mod mp2_eri.mod rs_pw_interface.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F mp2_ri_grad.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:36:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_ri_grad.F90 -/build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F:190:79: - - 190 | TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: G_P_ia, G_P_ia_beta, mat_munu_local, & - | ^ -Warning: 'g_p_ia_beta.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F:190:79: Warning: 'g_p_ia_beta.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F:919:33: - - 919 | DEALLOCATE (G_P_ia_beta) - | ^ -Warning: 'g_p_ia_beta.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F:317:119: - - 317 | G_P_ia_beta(L_counter), matrix_P_inu_beta, mo_coeff_v_beta, mo_coeff_o_beta) - | ^ -Warning: 'mo_coeff_v_beta' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_ri_grad.mod' due to: mp2_ri_grad.o /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cell_types.mod cp_fm_types.mod pw_pool_types.mod task_list_types.mod virial_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod pw_poisson_types.mod basis_set_types.mod kinds.mod ao_util.mod qs_collocate_density.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod orbital_pointers.mod gaussian_gridlevels.mod mp2_eri_gpw.mod util.mod cp_eri_mme_interface.mod qs_integrate_potential.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod pw_poisson_methods.mod cp_para_env.mod pw_methods.mod input_constants.mod cp_gemm_interface.mod mp2_eri.mod rs_pw_interface.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_laplace.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_laplace.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_laplace.F mp2_laplace.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:36:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_laplace.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_laplace.mod' due to: mp2_laplace.o /build/reproducible-path/cp2k-8.1/src/mp2_laplace.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_communication.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_communication.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod kinds.mod util.mod message_passing.mod cp_blacs_env.mod cp_fm_struct.mod cp_dbcsr_operations.mod base_hooks.mod mp2_ri_grad_util.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_communication.F rpa_communication.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:36:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_communication.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_communication.mod' due to: rpa_communication.o /build/reproducible-path/cp2k-8.1/src/rpa_communication.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod kinds.mod util.mod message_passing.mod cp_blacs_env.mod cp_fm_struct.mod cp_dbcsr_operations.mod base_hooks.mod mp2_ri_grad_util.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_im_time.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_im_time.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_tensors_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod hfx_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod cp_gemm_interface.mod qs_tensors.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_im_time.F rpa_im_time.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:37:02 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_im_time.F90 -/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:370:52: - - 370 | occ_O = occ_O + occ - | ^ -Warning: 'occ_o' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:452:56: - - 452 | occ_M_virt = occ_M_virt + occ - | ^ -Warning: 'occ_m_virt' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:407:54: - - 407 | occ_M_occ = occ_M_occ + occ - | ^ -Warning: 'occ_m_occ' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:369:52: - - 369 | nze_O = nze_O + nze - | ^ -Warning: 'nze_o' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:451:56: - - 451 | nze_M_virt = nze_M_virt + nze - | ^ -Warning: 'nze_m_virt' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/rpa_im_time.F:406:54: - - 406 | nze_M_occ = nze_M_occ + nze - | ^ -Warning: 'nze_m_occ' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_im_time.mod' due to: rpa_im_time.o /build/reproducible-path/cp2k-8.1/src/rpa_im_time.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_tensors_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod hfx_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod cp_gemm_interface.mod qs_tensors.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_gw_kpoints.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod cp_cfm_types.mod particle_types.mod qs_environment_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod base_hooks.mod mathconstants.mod particle_methods.mod rpa_im_time.mod qs_integral_utils.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F rpa_gw_kpoints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:37:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_gw_kpoints.F90 -/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:793:33: - - 793 | SUBROUTINE trace_for_self_ener(mat_contr_W_re, mat_contr_W_im, n_level_gw, jquad, & - | ^ -Warning: 'trace_for_self_ener' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:916:45: - - 916 | SUBROUTINE trafo_I_T_R1_plus_S2_to_M_R1_S2(mat_I_muP_occ_re, mat_I_muP_virt_re, & - | ^ -Warning: 'trafo_i_t_r1_plus_s2_to_m_r1_s2' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:1024:34: - - 1024 | SUBROUTINE compute_G_real_space(mat_dm_occ_S, mat_dm_virt_S, qs_env, num_integ_points, & - | ^ -Warning: 'compute_g_real_space' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:1105:51: - - 1105 | SUBROUTINE compute_cell_vec_for_R1_plus_S2_or_R1(index_to_cell_R1_plus_S2, cell_to_index_3c, & - | ^ -Warning: 'compute_cell_vec_for_r1_plus_s2_or_r1' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:1213:37: - - 1213 | SUBROUTINE compute_cell_vec_for_R2(index_to_cell_R2, cell_to_index_R2, num_cells_R2, unit_nr, & - | ^ -Warning: 'compute_cell_vec_for_r2' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:301:81: - - 301 | weight_im*AIMAG(cfm_mat_work_2%local_data(irow, jcol)) - | ^ -Warning: 'weight_re' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F:301:81: Warning: 'weight_im' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_gw_kpoints.mod' due to: rpa_gw_kpoints.o /build/reproducible-path/cp2k-8.1/src/rpa_gw_kpoints.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod cp_cfm_types.mod particle_types.mod qs_environment_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod base_hooks.mod mathconstants.mod particle_methods.mod rpa_im_time.mod qs_integral_utils.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_util.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod mp2_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod cp_para_types.mod hfx_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod mp2_laplace.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod rpa_communication.mod machine.mod cp_para_env.mod input_constants.mod rpa_gw_kpoints.mod cp_gemm_interface.mod cp_fm_cholesky.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_util.F rpa_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:37:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_util.mod' due to: rpa_util.o /build/reproducible-path/cp2k-8.1/src/rpa_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod mp2_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod cp_para_types.mod hfx_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod mp2_laplace.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod rpa_communication.mod machine.mod cp_para_env.mod input_constants.mod rpa_gw_kpoints.mod cp_gemm_interface.mod cp_fm_cholesky.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_gw_im_time_util.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_gw_im_time_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod qs_tensors_types.mod qs_environment_types.mod mp2_types.mod cell_types.mod cp_fm_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod base_hooks.mod rpa_communication.mod particle_methods.mod qs_integral_utils.mod qs_tensors.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_gw_im_time_util.F rpa_gw_im_time_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:37:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_gw_im_time_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_gw_im_time_util.mod' due to: rpa_gw_im_time_util.o /build/reproducible-path/cp2k-8.1/src/rpa_gw_im_time_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod qs_tensors_types.mod qs_environment_types.mod mp2_types.mod cell_types.mod cp_fm_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod base_hooks.mod rpa_communication.mod particle_methods.mod qs_integral_utils.mod qs_tensors.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_gw.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_gw.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod cp_cfm_types.mod particle_types.mod qs_ks_types.mod qs_tensors_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_fm_diag.mod qs_band_structure.mod cp_dbcsr_operations.mod qs_gamma2kp.mod cp_fm_basic_linalg.mod cp_files.mod qs_neighbor_lists.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_moments.mod physcon.mod qs_overlap.mod input_constants.mod cp_gemm_interface.mod cp_fm_cholesky.mod qs_integral_utils.mod qs_tensors.mod rpa_gw_im_time_util.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_gw.F rpa_gw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:37:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_gw.F90 -/build/reproducible-path/cp2k-8.1/src/rpa_gw.F:2959:63: - - 2959 | /REAL(degeneracy, KIND=dp) - | ^ -Warning: 'first_degenerate_level' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/rpa_gw.F:3904:49: - - 3904 | qp_energy = qp_energy_old + 0.5_dp*delta - | ^ -Warning: 'level_energ_gw' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/rpa_gw.F:3510:95: - - 3510 | REAL(KIND=dp) :: e_fermi, energy_val, level_energ_GW, & - | ^ -note: 'level_energ_gw' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_gw.mod' due to: rpa_gw.o /build/reproducible-path/cp2k-8.1/src/rpa_gw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod cp_cfm_types.mod particle_types.mod qs_ks_types.mod qs_tensors_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_fm_diag.mod qs_band_structure.mod cp_dbcsr_operations.mod qs_gamma2kp.mod cp_fm_basic_linalg.mod cp_files.mod qs_neighbor_lists.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_moments.mod physcon.mod qs_overlap.mod input_constants.mod cp_gemm_interface.mod cp_fm_cholesky.mod qs_integral_utils.mod qs_tensors.mod rpa_gw_im_time_util.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'bse.o' due to: /build/reproducible-path/cp2k-8.1/src/bse.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod message_passing.mod base_hooks.mod rpa_communication.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/bse.F bse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:37:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' bse.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'bse.mod' due to: bse.o /build/reproducible-path/cp2k-8.1/src/bse.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod cp_gemm_interface.mod kinds.mod cp_fm_cholesky.mod message_passing.mod base_hooks.mod rpa_communication.mod cp_fm_basic_linalg.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minimax_exp_gw.o' due to: /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F minimax_exp_gw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:37:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/minimax/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' minimax_exp_gw.F90 -/build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F:79:10: - - 79 | IF (E_ratio > 1.5_dp) THEN - | ^ -Warning: 'e_ratio' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F:45:67: - - 45 | REAL(KIND=dp) :: E_ratio - | ^ -note: 'e_ratio' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minimax_exp_gw.mod' due to: minimax_exp_gw.o /build/reproducible-path/cp2k-8.1/src/minimax/minimax_exp_gw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'minimax_rpa.o' due to: /build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F minimax_rpa.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:37:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/reproducible-path/cp2k-8.1/src/minimax/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' minimax_rpa.F90 -/build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F:10164:33: - -10164 | E_ratio = E_ratio/1.5_dp - | ^ -Warning: 'e_ratio' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F:10129:67: - -10129 | REAL(KIND=dp) :: E_ratio - | ^ -note: 'e_ratio' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'minimax_rpa.mod' due to: minimax_rpa.o /build/reproducible-path/cp2k-8.1/src/minimax/minimax_rpa.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_grids.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_grids.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod mp2_types.mod kpoint_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod kinds.mod minimax_exp.mod minimax_exp_gw.mod cp_para_env.mod message_passing.mod base_hooks.mod mathconstants.mod machine.mod minimax_rpa.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_grids.F mp2_grids.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:37:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_grids.F90 -/build/reproducible-path/cp2k-8.1/src/mp2_grids.F:489:10: - - 489 | IF (ABS(left_term + right_term) >= conv_param) THEN - | ^ -Warning: 'left_term' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/mp2_grids.F:490:13: - - 490 | IF (a_scaling >= 2*num_integ_points*step) THEN - | ^ -Warning: 'a_scaling' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_grids.mod' due to: mp2_grids.o /build/reproducible-path/cp2k-8.1/src/mp2_grids.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod mp2_types.mod kpoint_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod kinds.mod minimax_exp.mod minimax_exp_gw.mod cp_para_env.mod message_passing.mod base_hooks.mod mathconstants.mod machine.mod minimax_rpa.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_kpoints.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_kpoints.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod particle_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_environment_types.mod kinds.mod cp_cfm_basic_linalg.mod rpa_im_time.mod message_passing.mod cp_dbcsr_operations.mod base_hooks.mod mathconstants.mod rpa_gw_kpoints.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_kpoints.F rpa_kpoints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:38:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_kpoints.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_kpoints.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_kpoints.mod' due to: rpa_kpoints.o /build/reproducible-path/cp2k-8.1/src/rpa_kpoints.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod particle_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_environment_types.mod kinds.mod cp_cfm_basic_linalg.mod rpa_im_time.mod message_passing.mod cp_dbcsr_operations.mod base_hooks.mod mathconstants.mod rpa_gw_kpoints.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_axk.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_axk.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_subsys_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod mp2_types.mod cell_types.mod cp_fm_types.mod cp_para_types.mod hfx_types.mod kinds.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod util.mod cp_fm_struct.mod base_hooks.mod rpa_communication.mod cp_gemm_interface.mod hfx_energy_potential.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_axk.F rpa_axk.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:38:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_axk.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_axk.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_axk.mod' due to: rpa_axk.o /build/reproducible-path/cp2k-8.1/src/rpa_axk.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_subsys_types.mod qs_kind_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod mp2_types.mod cell_types.mod cp_fm_types.mod cp_para_types.mod hfx_types.mod kinds.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod util.mod cp_fm_struct.mod base_hooks.mod rpa_communication.mod cp_gemm_interface.mod hfx_energy_potential.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_gw_ic.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod mp2_types.mod qs_tensors_types.mod cp_fm_types.mod kinds.mod message_passing.mod physcon.mod cp_dbcsr_operations.mod base_hooks.mod rpa_communication.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F rpa_gw_ic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:38:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_gw_ic.F90 -/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:298:32: - - 298 | SUBROUTINE print_Neaton_value(fm_mat_M_occ, unit_nr, gw_corr_lev_occ, para_env, do_homo, do_lumo) - | ^ -Warning: 'print_neaton_value' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:359:31: - - 359 | SUBROUTINE update_coeff_homo(coeff_homo, fm_mat_U_occ, para_env, homo, gw_corr_lev_occ, do_lumo) - | ^ -Warning: 'update_coeff_homo' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:439:32: - - 439 | SUBROUTINE fill_fm_mat_M_virt(fm_mat_M_virt, mat_N_virt_dbcsr, matrix_s, Eigenval, gw_corr_lev_virt, homo, para_env) - | ^ -Warning: 'fill_fm_mat_m_virt' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:681:31: - - 681 | SUBROUTINE fill_fm_mat_M_occ(fm_mat_M_occ, mat_N_occ_dbcsr, matrix_s, Eigenval, gw_corr_lev_occ, homo, para_env) - | ^ -Warning: 'fill_fm_mat_m_occ' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:946:34: - - 946 | SUBROUTINE fill_coeff_dbcsr_occ(coeff_dbcsr, coeff, homo) - | ^ -Warning: 'fill_coeff_dbcsr_occ' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F:992:35: - - 992 | SUBROUTINE fill_coeff_dbcsr_virt(coeff_dbcsr, coeff, homo) - | ^ -Warning: 'fill_coeff_dbcsr_virt' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_gw_ic.mod' due to: rpa_gw_ic.o /build/reproducible-path/cp2k-8.1/src/rpa_gw_ic.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod mp2_types.mod qs_tensors_types.mod cp_fm_types.mod kinds.mod message_passing.mod physcon.mod cp_dbcsr_operations.mod base_hooks.mod rpa_communication.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_main.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_cfm_types.mod qs_environment_types.mod mp2_types.mod kpoint_types.mod cp_fm_types.mod cp_para_types.mod hfx_types.mod kinds.mod minimax_exp.mod message_passing.mod cp_blacs_env.mod rpa_util.mod cp_fm_basic_linalg.mod rpa_gw.mod bse.mod util.mod bibliography.mod mp2_laplace.mod cp_fm_struct.mod mp2_grids.mod rpa_kpoints.mod base_hooks.mod mathconstants.mod rpa_communication.mod machine.mod cp_para_env.mod rpa_axk.mod input_constants.mod rpa_im_time.mod rpa_gw_ic.mod mp2_ri_grad_util.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_main.F rpa_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:38:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_main.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_main.mod' due to: rpa_main.o /build/reproducible-path/cp2k-8.1/src/rpa_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_cfm_types.mod qs_environment_types.mod mp2_types.mod kpoint_types.mod cp_fm_types.mod cp_para_types.mod hfx_types.mod kinds.mod minimax_exp.mod message_passing.mod cp_blacs_env.mod rpa_util.mod cp_fm_basic_linalg.mod rpa_gw.mod bse.mod util.mod bibliography.mod mp2_laplace.mod cp_fm_struct.mod mp2_grids.mod rpa_kpoints.mod base_hooks.mod mathconstants.mod rpa_communication.mod machine.mod cp_para_env.mod rpa_axk.mod input_constants.mod rpa_im_time.mod rpa_gw_ic.mod mp2_ri_grad_util.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_eri.mod' due to: mp2_eri.o /build/reproducible-path/cp2k-8.1/src/mp2_eri.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod eri_mme_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod eri_mme_test.mod util.mod cp_eri_mme_interface.mod orbital_pointers.mod ai_coulomb.mod kinds.mod base_hooks.mod eri_mme_integrate.mod ai_contraction_sphi.mod qs_integral_utils.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_rse.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_rse.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_fm_types.mod cp_para_types.mod pw_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_ks_utils.mod cp_fm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod cp_gemm_interface.mod hfx_energy_potential.mod cp_dbcsr_cp2k_link.mod qs_vxc.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_rse.F rpa_rse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:38:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rpa_rse.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_rse.mod' due to: rpa_rse.o /build/reproducible-path/cp2k-8.1/src/rpa_rse.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_fm_types.mod cp_para_types.mod pw_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod qs_ks_utils.mod cp_fm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod cp_gemm_interface.mod hfx_energy_potential.mod cp_dbcsr_cp2k_link.mod qs_vxc.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kpoint_coulomb_2c.o' due to: /build/reproducible-path/cp2k-8.1/src/kpoint_coulomb_2c.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod cell_types.mod kpoint_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod generic_shg_integrals_init.mod mathconstants.mod base_hooks.mod generic_shg_integrals.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'kpoint_coulomb_2c.o' due to: /build/reproducible-path/cp2k-8.1/src/kpoint_coulomb_2c.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod kpoint_types.mod qs_kind_types.mod particle_types.mod cell_types.mod mathconstants.mod generic_shg_integrals.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/kpoint_coulomb_2c.F kpoint_coulomb_2c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:38:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' kpoint_coulomb_2c.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:42:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kpoint_coulomb_2c.F90 /build/reproducible-path/cp2k-8.1/src/kpoint_coulomb_2c.F:207:44: 207 | k_z > z_max .OR. k_z < z_min) CYCLE @@ -46722,23 +46223,121 @@ 197 | DO i_x_outer = x_min, x_max + nkp_grid(1), 2*nkp_grid(1) | ^ Warning: 'x_max' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kpoint_coulomb_2c.mod' due to: kpoint_coulomb_2c.o /build/reproducible-path/cp2k-8.1/src/kpoint_coulomb_2c.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod cell_types.mod kpoint_types.mod qs_kind_types.mod basis_set_types.mod kinds.mod generic_shg_integrals_init.mod mathconstants.mod base_hooks.mod generic_shg_integrals.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'kpoint_coulomb_2c.mod' due to: kpoint_coulomb_2c.o /build/reproducible-path/cp2k-8.1/src/kpoint_coulomb_2c.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod kpoint_types.mod qs_kind_types.mod particle_types.mod cell_types.mod mathconstants.mod generic_shg_integrals.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_eri_gpw.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_eri_gpw.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod rs_pw_interface.mod ao_util.mod message_passing.mod pw_env_methods.mod pw_poisson_methods.mod task_list_methods.mod pw_methods.mod orbital_pointers.mod kinds.mod base_hooks.mod qs_integrate_potential.mod qs_collocate_density.mod gaussian_gridlevels.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_eri_gpw.F mp2_eri_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:42:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_eri_gpw.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_eri_gpw.mod' due to: mp2_eri_gpw.o /build/reproducible-path/cp2k-8.1/src/mp2_eri_gpw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod rs_pw_interface.mod ao_util.mod message_passing.mod pw_env_methods.mod pw_poisson_methods.mod task_list_methods.mod pw_methods.mod orbital_pointers.mod kinds.mod base_hooks.mod qs_integrate_potential.mod qs_collocate_density.mod gaussian_gridlevels.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_ri_2c.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_2c.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod group_dist_types.mod qs_kind_types.mod cp_cfm_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod distribution_2d_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod mp2_eri_gpw.mod cp_cfm_basic_linalg.mod cp_eri_mme_interface.mod cp_fm_struct.mod base_hooks.mod constants_operator.mod rpa_communication.mod libint_2c_3c.mod kpoint_coulomb_2c.mod cp_para_env.mod particle_methods.mod qs_interactions.mod input_constants.mod kpoint_methods.mod cp_gemm_interface.mod cp_fm_cholesky.mod qs_integral_utils.mod cp_dbcsr_cp2k_link.mod qs_tensors.mod mp2_eri.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_ri_2c.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_2c.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod atomic_kind_types.mod kpoint_types.mod group_dist_types.mod cp_fm_types.mod cp_cfm_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod message_passing.mod mp2_eri.mod qs_interactions.mod cp_eri_mme_interface.mod kpoint_coulomb_2c.mod kpoint_methods.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod particle_methods.mod cp_para_env.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod mp2_eri_gpw.mod cp_cfm_basic_linalg.mod cp_fm_cholesky.mod constants_operator.mod qs_tensors.mod cp_dbcsr_operations.mod libint_2c_3c.mod qs_integral_utils.mod input_constants.mod rpa_communication.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_ri_2c.F mp2_ri_2c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:38:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_ri_2c.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_ri_2c.mod' due to: mp2_ri_2c.o /build/reproducible-path/cp2k-8.1/src/mp2_ri_2c.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod group_dist_types.mod qs_kind_types.mod cp_cfm_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod distribution_2d_types.mod cp_para_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod mp2_eri_gpw.mod cp_cfm_basic_linalg.mod cp_eri_mme_interface.mod cp_fm_struct.mod base_hooks.mod constants_operator.mod rpa_communication.mod libint_2c_3c.mod kpoint_coulomb_2c.mod cp_para_env.mod particle_methods.mod qs_interactions.mod input_constants.mod kpoint_methods.mod cp_gemm_interface.mod cp_fm_cholesky.mod qs_integral_utils.mod cp_dbcsr_cp2k_link.mod qs_tensors.mod mp2_eri.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:42:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_ri_2c.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_ri_2c.mod' due to: mp2_ri_2c.o /build/reproducible-path/cp2k-8.1/src/mp2_ri_2c.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod atomic_kind_types.mod kpoint_types.mod group_dist_types.mod cp_fm_types.mod cp_cfm_types.mod particle_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod message_passing.mod mp2_eri.mod qs_interactions.mod cp_eri_mme_interface.mod kpoint_coulomb_2c.mod kpoint_methods.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod particle_methods.mod cp_para_env.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod mp2_eri_gpw.mod cp_cfm_basic_linalg.mod cp_fm_cholesky.mod constants_operator.mod qs_tensors.mod cp_dbcsr_operations.mod libint_2c_3c.mod qs_integral_utils.mod input_constants.mod rpa_communication.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod group_dist_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod qs_tensors_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod pw_poisson_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod mp2_eri_gpw.mod util.mod bibliography.mod cp_eri_mme_interface.mod cp_fm_struct.mod base_hooks.mod machine.mod libint_2c_3c.mod mp2_ri_2c.mod cp_para_env.mod particle_methods.mod input_constants.mod kpoint_methods.mod qs_integral_utils.mod qs_tensors.mod cp_units.mod mp2_eri.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod pw_poisson_types.mod group_dist_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod hfx_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod basis_set_types.mod cp_control_types.mod qs_tensors_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod mp2_eri.mod util.mod cp_eri_mme_interface.mod cp_units.mod kpoint_methods.mod bibliography.mod cp_blacs_env.mod particle_methods.mod machine.mod cp_para_env.mod cp_fm_struct.mod kinds.mod mp2_ri_2c.mod base_hooks.mod mp2_eri_gpw.mod qs_tensors.mod cp_dbcsr_operations.mod libint_2c_3c.mod qs_integral_utils.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_integrals.F mp2_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:38:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_integrals.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_integrals.mod' due to: mp2_integrals.o /build/reproducible-path/cp2k-8.1/src/mp2_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod group_dist_types.mod pw_env_types.mod qs_kind_types.mod particle_types.mod qs_tensors_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod pw_poisson_types.mod pw_pool_types.mod task_list_types.mod cp_para_types.mod pw_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod mp2_eri_gpw.mod util.mod bibliography.mod cp_eri_mme_interface.mod cp_fm_struct.mod base_hooks.mod machine.mod libint_2c_3c.mod mp2_ri_2c.mod cp_para_env.mod particle_methods.mod input_constants.mod kpoint_methods.mod qs_integral_utils.mod qs_tensors.mod cp_units.mod mp2_eri.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:42:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_integrals.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_integrals.mod' due to: mp2_integrals.o /build/reproducible-path/cp2k-8.1/src/mp2_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod kpoint_types.mod pw_poisson_types.mod group_dist_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod hfx_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod basis_set_types.mod cp_control_types.mod qs_tensors_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod mp2_eri.mod util.mod cp_eri_mme_interface.mod cp_units.mod kpoint_methods.mod bibliography.mod cp_blacs_env.mod particle_methods.mod machine.mod cp_para_env.mod cp_fm_struct.mod kinds.mod mp2_ri_2c.mod base_hooks.mod mp2_eri_gpw.mod qs_tensors.mod cp_dbcsr_operations.mod libint_2c_3c.mod qs_integral_utils.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_gpw_method.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod group_dist_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod cp_blacs_env.mod machine.mod cp_para_env.mod cp_fm_struct.mod kinds.mod base_hooks.mod mp2_eri_gpw.mod qs_integrate_potential.mod cp_dbcsr_operations.mod qs_collocate_density.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F mp2_gpw_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:42:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_gpw_method.F90 +/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:162:65: + + 162 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send + | ^ +Warning: 'bib_c.dim[2].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:162:65: Warning: 'bib_c.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:162:65: Warning: 'bib_c.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:776:91: + + 776 | BIb_jb(j_global - my_B_virtual_start + 1, i_global) = rec_BI(iiB, jjB) + | ^ +Warning: 'bib_c.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:162:65: + + 162 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send + | ^ +note: 'bib_c.dim[1].stride' was declared here +/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:438:36: + + 438 | IF (calc_ex) BIb_C = 0.0_dp + | ^ +Warning: 'bib_c.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:162:65: + + 162 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send + | ^ +Warning: 'bib_c.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:381:68: + + 381 | sub_sub_color = color_array(para_env_sub%mepos, my_q_position) + | ^ +Warning: 'my_q_position' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F:335:94: + + 335 | my_I_occupied_end = my_I_occupied_start + vector_batch_I_size_group(i_group_counter) - 1 + | ^ +Warning: 'i_group_counter' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_gpw_method.mod' due to: mp2_gpw_method.o /build/reproducible-path/cp2k-8.1/src/mp2_gpw_method.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod group_dist_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod message_passing.mod cp_blacs_env.mod machine.mod cp_para_env.mod cp_fm_struct.mod kinds.mod base_hooks.mod mp2_eri_gpw.mod qs_integrate_potential.mod cp_dbcsr_operations.mod qs_collocate_density.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_ri_gpw.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod group_dist_types.mod mp2_types.mod cp_para_env.mod kinds.mod base_hooks.mod mp2_ri_grad_util.mod message_passing.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F mp2_ri_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:42:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_ri_gpw.F90 +/build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F:2582:68: + + 2582 | para_env_exchange%group) + | ^ +Warning: 'send_k' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F:2551:65: + + 2551 | para_env_exchange%group) + | ^ +Warning: 'send_j' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F:2524:65: + + 2524 | para_env_exchange%group) + | ^ +Warning: 'send_i' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F:719:45: + + 719 | ALLOCATE (gd_array%sizes(0:iiB - 1)) + | ^ +Warning: 'MEM[(struct array01_integer(kind=4) &)&sizes_array_orig].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_ri_gpw.mod' due to: mp2_ri_gpw.o /build/reproducible-path/cp2k-8.1/src/mp2_ri_gpw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod group_dist_types.mod mp2_types.mod cp_para_env.mod kinds.mod base_hooks.mod mp2_ri_grad_util.mod message_passing.mod machine.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_ri_grad.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod virial_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod rs_pw_interface.mod ao_util.mod message_passing.mod mp2_eri.mod util.mod pw_poisson_methods.mod cp_eri_mme_interface.mod pw_methods.mod orbital_pointers.mod cp_blacs_env.mod cp_para_env.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod mp2_eri_gpw.mod qs_integrate_potential.mod cp_dbcsr_operations.mod qs_collocate_density.mod gaussian_gridlevels.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F mp2_ri_grad.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:43:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_ri_grad.F90 +/build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F:190:79: + + 190 | TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: G_P_ia, G_P_ia_beta, mat_munu_local, & + | ^ +Warning: 'g_p_ia_beta.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F:190:79: Warning: 'g_p_ia_beta.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F:919:33: + + 919 | DEALLOCATE (G_P_ia_beta) + | ^ +Warning: 'g_p_ia_beta.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F:317:119: + + 317 | G_P_ia_beta(L_counter), matrix_P_inu_beta, mo_coeff_v_beta, mo_coeff_o_beta) + | ^ +Warning: 'mo_coeff_v_beta' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_ri_grad.mod' due to: mp2_ri_grad.o /build/reproducible-path/cp2k-8.1/src/mp2_ri_grad.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod task_list_types.mod virial_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod rs_pw_interface.mod ao_util.mod message_passing.mod mp2_eri.mod util.mod pw_poisson_methods.mod cp_eri_mme_interface.mod pw_methods.mod orbital_pointers.mod cp_blacs_env.mod cp_para_env.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod mp2_eri_gpw.mod qs_integrate_potential.mod cp_dbcsr_operations.mod qs_collocate_density.mod gaussian_gridlevels.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rpa_rse.o' due to: /build/reproducible-path/cp2k-8.1/src/rpa_rse.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod pw_types.mod cp_para_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod hfx_energy_potential.mod message_passing.mod qs_ks_utils.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_vxc.mod base_hooks.mod cp_dbcsr_operations.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rpa_rse.F rpa_rse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:43:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_rse.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rpa_rse.mod' due to: rpa_rse.o /build/reproducible-path/cp2k-8.1/src/rpa_rse.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod pw_types.mod cp_para_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod hfx_energy_potential.mod message_passing.mod qs_ks_utils.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_vxc.mod base_hooks.mod cp_dbcsr_operations.mod cp_fm_diag.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'linear_systems.mod' due to: linear_systems.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_cphf.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_cphf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod pw_env_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_fm_types.mod pw_poisson_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod hfx_types.mod kinds.mod qs_collocate_density.mod linear_systems.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod mp2_eri_gpw.mod qs_rho_methods.mod qs_integrate_potential.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod pw_poisson_methods.mod pw_methods.mod cp_gemm_interface.mod kahan_sum.mod hfx_energy_potential.mod cp_dbcsr_cp2k_link.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_cphf.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_cphf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod pw_pool_types.mod pw_env_types.mod hfx_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod hfx_energy_potential.mod message_passing.mod pw_poisson_methods.mod cp_dbcsr_cp2k_link.mod kahan_sum.mod pw_methods.mod cp_blacs_env.mod machine.mod qs_rho_methods.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod mp2_eri_gpw.mod linear_systems.mod qs_integrate_potential.mod cp_dbcsr_operations.mod qs_collocate_density.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_cphf.F mp2_cphf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:38:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_cphf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:43:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_cphf.F90 /build/reproducible-path/cp2k-8.1/src/mp2_cphf.F:1814:27: 1814 | DEALLOCATE (Ax_ba) @@ -46759,16 +46358,62 @@ 1811 | DEALLOCATE (xn_b) | ^ Warning: 'xn_b.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_cphf.mod' due to: mp2_cphf.o /build/reproducible-path/cp2k-8.1/src/mp2_cphf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod pw_env_types.mod qs_rho_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_fm_types.mod pw_poisson_types.mod pw_pool_types.mod virial_types.mod cp_para_types.mod pw_types.mod hfx_types.mod kinds.mod qs_collocate_density.mod linear_systems.mod message_passing.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod mp2_eri_gpw.mod qs_rho_methods.mod qs_integrate_potential.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod pw_poisson_methods.mod pw_methods.mod cp_gemm_interface.mod kahan_sum.mod hfx_energy_potential.mod cp_dbcsr_cp2k_link.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_cphf.mod' due to: mp2_cphf.o /build/reproducible-path/cp2k-8.1/src/mp2_cphf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod cp_fm_types.mod pw_pool_types.mod pw_env_types.mod hfx_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod hfx_energy_potential.mod message_passing.mod pw_poisson_methods.mod cp_dbcsr_cp2k_link.mod kahan_sum.mod pw_methods.mod cp_blacs_env.mod machine.mod qs_rho_methods.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod mp2_eri_gpw.mod linear_systems.mod qs_integrate_potential.mod cp_dbcsr_operations.mod qs_collocate_density.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_gpw.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_gpw.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod group_dist_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod molecule_kind_types.mod mp2_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod molecule_types.mod qs_mo_types.mod distribution_2d_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod mp2_gpw_method.mod mp2_ri_gpw.mod cp_dbcsr_operations.mod distribution_methods.mod mp2_ri_grad.mod rpa_main.mod qs_neighbor_lists.mod cp_fm_struct.mod base_hooks.mod rpa_rse.mod machine.mod mp2_integrals.mod cp_para_env.mod particle_methods.mod qs_interactions.mod cp_log_handling.mod input_constants.mod libint_wrapper.mod qs_integral_utils.mod cp_dbcsr_cp2k_link.mod mp2_cphf.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_gpw.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_gpw.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod kpoint_types.mod group_dist_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod hfx_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod distribution_1d_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_log_handling.mod message_passing.mod rpa_main.mod qs_interactions.mod distribution_methods.mod cp_dbcsr_cp2k_link.mod mp2_integrals.mod cp_blacs_env.mod particle_methods.mod libint_wrapper.mod machine.mod qs_neighbor_lists.mod cp_para_env.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod mp2_gpw_method.mod input_constants.mod mp2_ri_gpw.mod mp2_ri_grad.mod qs_integral_utils.mod rpa_rse.mod mp2_cphf.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_gpw.F mp2_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:39:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_gpw.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_gpw.mod' due to: mp2_gpw.o /build/reproducible-path/cp2k-8.1/src/mp2_gpw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod group_dist_types.mod distribution_1d_types.mod qs_kind_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod molecule_kind_types.mod mp2_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod molecule_types.mod qs_mo_types.mod distribution_2d_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod cp_blacs_env.mod mp2_gpw_method.mod mp2_ri_gpw.mod cp_dbcsr_operations.mod distribution_methods.mod mp2_ri_grad.mod rpa_main.mod qs_neighbor_lists.mod cp_fm_struct.mod base_hooks.mod rpa_rse.mod machine.mod mp2_integrals.mod cp_para_env.mod particle_methods.mod qs_interactions.mod cp_log_handling.mod input_constants.mod libint_wrapper.mod qs_integral_utils.mod cp_dbcsr_cp2k_link.mod mp2_cphf.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:43:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_gpw.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_gpw.mod' due to: mp2_gpw.o /build/reproducible-path/cp2k-8.1/src/mp2_gpw.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod kpoint_types.mod group_dist_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod hfx_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod distribution_1d_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod cp_log_handling.mod message_passing.mod rpa_main.mod qs_interactions.mod distribution_methods.mod cp_dbcsr_cp2k_link.mod mp2_integrals.mod cp_blacs_env.mod particle_methods.mod libint_wrapper.mod machine.mod qs_neighbor_lists.mod cp_para_env.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_dbcsr_operations.mod mp2_gpw_method.mod input_constants.mod mp2_ri_gpw.mod mp2_ri_grad.mod qs_integral_utils.mod rpa_rse.mod mp2_cphf.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_ri_libint.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_ri_libint.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod hfx_energy_potential.mod message_passing.mod hfx_pair_list_methods.mod orbital_pointers.mod cp_blacs_env.mod libint_wrapper.mod t_sh_p_s_c.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_fm_cholesky.mod cp_files.mod gamma.mod hfx_screening_methods.mod input_constants.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_ri_libint.F mp2_ri_libint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:43:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_ri_libint.F90 +/build/reproducible-path/cp2k-8.1/src/mp2_ri_libint.F:1311:3: + + 1311 | FUNCTION calc_cond_num(matrix, size_matrix) RESULT(cond_num) + | ^ +Warning: 'calc_cond_num' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_ri_libint.mod' due to: mp2_ri_libint.o /build/reproducible-path/cp2k-8.1/src/mp2_ri_libint.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod cp_fm_basic_linalg.mod hfx_energy_potential.mod message_passing.mod hfx_pair_list_methods.mod orbital_pointers.mod cp_blacs_env.mod libint_wrapper.mod t_sh_p_s_c.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_fm_cholesky.mod cp_files.mod gamma.mod hfx_screening_methods.mod input_constants.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_direct_method.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod cp_log_handling.mod hfx_energy_potential.mod message_passing.mod hfx_load_balance_methods.mod hfx_pair_list_methods.mod orbital_pointers.mod libint_wrapper.mod mathconstants.mod t_sh_p_s_c.mod kinds.mod base_hooks.mod input_constants.mod mp2_ri_libint.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F mp2_direct_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:43:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_direct_method.F90 +/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:978:64: + + 978 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec + | ^ +Warning: 's_offset_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:977:93: + + 977 | index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, & + | ^ +Warning: 'r_offset_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:742:87: + + 742 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec) + | ^ +Warning: 'ssize_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:742:87: Warning: 's_offset_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:125:86: + + 125 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & + | ^ +Warning: 'rsize_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:125:75: + + 125 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & + | ^ +Warning: 'r_offset_rec' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F:569:81: + + 569 | cost_RS(global_counter) = cost_RS(global_counter) + cost_tmp + | ^ +Warning: 'global_counter' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_direct_method.mod' due to: mp2_direct_method.o /build/reproducible-path/cp2k-8.1/src/mp2_direct_method.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod cp_log_handling.mod hfx_energy_potential.mod message_passing.mod hfx_load_balance_methods.mod hfx_pair_list_methods.mod orbital_pointers.mod libint_wrapper.mod mathconstants.mod t_sh_p_s_c.mod kinds.mod base_hooks.mod input_constants.mod mp2_ri_libint.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_optimize_ri_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_container_types.mod qs_kind_types.mod qs_environment_types.mod mp2_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod mp2_ri_libint.mod orbital_pointers.mod util.mod base_hooks.mod machine.mod cp_para_env.mod cp_log_handling.mod memory_utilities.mod libint_wrapper.mod mp2_direct_method.mod orbital_symbols.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2_optimize_ri_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod basis_set_container_types.mod qs_environment_types.mod mp2_types.mod cp_log_handling.mod message_passing.mod util.mod mp2_direct_method.mod orbital_pointers.mod machine.mod libint_wrapper.mod cp_para_env.mod memory_utilities.mod orbital_symbols.mod kinds.mod base_hooks.mod mp2_ri_libint.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:39:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2_optimize_ri_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:43:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_optimize_ri_basis.F90 /build/reproducible-path/cp2k-8.1/src/mp2_optimize_ri_basis.F:942:87: 942 | max_min_exp_per_l(1, la) = MAX(max_min_exp_per_l(1, la), exp_limits(1, ikind)) @@ -46779,11 +46424,11 @@ 892 | iset, la | ^ note: 'la' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_optimize_ri_basis.mod' due to: mp2_optimize_ri_basis.o /build/reproducible-path/cp2k-8.1/src/mp2_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_container_types.mod qs_kind_types.mod qs_environment_types.mod mp2_types.mod cp_para_types.mod hfx_types.mod basis_set_types.mod kinds.mod message_passing.mod mp2_ri_libint.mod orbital_pointers.mod util.mod base_hooks.mod machine.mod cp_para_env.mod cp_log_handling.mod memory_utilities.mod libint_wrapper.mod mp2_direct_method.mod orbital_symbols.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2_optimize_ri_basis.mod' due to: mp2_optimize_ri_basis.o /build/reproducible-path/cp2k-8.1/src/mp2_optimize_ri_basis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod basis_set_container_types.mod qs_environment_types.mod mp2_types.mod cp_log_handling.mod message_passing.mod util.mod mp2_direct_method.mod orbital_pointers.mod machine.mod libint_wrapper.mod cp_para_env.mod memory_utilities.mod orbital_symbols.mod kinds.mod base_hooks.mod mp2_ri_libint.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod cp_cfm_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod mp2_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod virial_types.mod cp_para_types.mod hfx_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod bibliography.mod admm_methods.mod cp_files.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod qs_matrix_pools.mod physcon.mod cp_para_env.mod cp_log_handling.mod admm_utils.mod input_constants.mod qs_ks_methods.mod kpoint_methods.mod hfx_energy_potential.mod cp_fm_cholesky.mod mp2_direct_method.mod mp2_gpw.mod cp_dbcsr_cp2k_link.mod mp2_optimize_ri_basis.mod qs_scf_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mp2.o' due to: /build/reproducible-path/cp2k-8.1/src/mp2.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod qs_scf_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod admm_utils.mod admm_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod hfx_energy_potential.mod message_passing.mod mp2_gpw.mod kpoint_methods.mod mp2_optimize_ri_basis.mod mp2_direct_method.mod cp_dbcsr_cp2k_link.mod bibliography.mod cp_blacs_env.mod cp_output_handling.mod machine.mod cp_para_env.mod mathconstants.mod qs_scf_methods.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_cfm_basic_linalg.mod cp_fm_cholesky.mod physcon.mod qs_matrix_pools.mod cp_files.mod cp_dbcsr_operations.mod input_constants.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mp2.F mp2.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:39:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mp2.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:43:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2.F90 /build/reproducible-path/cp2k-8.1/src/mp2.F:1080:45: 1080 | j_batch_start = my_J_occupied_start - 1 @@ -46844,329 +46489,827 @@ 772 | IF (n_threads == 1 .OR. actual_x_data%memory_parameter%do_disk_storage) do_dynamic_load_balancing = .FALSE. | ^ Warning: 'n_threads' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2.mod' due to: mp2.o /build/reproducible-path/cp2k-8.1/src/mp2.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod cp_cfm_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_neighbor_list_types.mod mp2_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod virial_types.mod cp_para_types.mod hfx_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod bibliography.mod admm_methods.mod cp_files.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod machine.mod qs_matrix_pools.mod physcon.mod cp_para_env.mod cp_log_handling.mod admm_utils.mod input_constants.mod qs_ks_methods.mod kpoint_methods.mod hfx_energy_potential.mod cp_fm_cholesky.mod mp2_direct_method.mod mp2_gpw.mod cp_dbcsr_cp2k_link.mod mp2_optimize_ri_basis.mod qs_scf_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mp2.mod' due to: mp2.o /build/reproducible-path/cp2k-8.1/src/mp2.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod qs_scf_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod mp2_types.mod admm_utils.mod admm_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod hfx_energy_potential.mod message_passing.mod mp2_gpw.mod kpoint_methods.mod mp2_optimize_ri_basis.mod mp2_direct_method.mod cp_dbcsr_cp2k_link.mod bibliography.mod cp_blacs_env.mod cp_output_handling.mod machine.mod cp_para_env.mod mathconstants.mod qs_scf_methods.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_cfm_basic_linalg.mod cp_fm_cholesky.mod physcon.mod qs_matrix_pools.mod cp_files.mod cp_dbcsr_operations.mod input_constants.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod qs_rho_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod pw_types.mod atprop_types.mod kinds.mod xas_tdp_methods.mod cp_external_control.mod cp_control_utils.mod qs_integrate_potential.mod cp_fm_struct.mod base_hooks.mod et_coupling_proj.mod qs_tddfpt2_methods.mod et_coupling.mod qs_ks_methods.mod kpoint_methods.mod qs_linres_module.mod xas_methods.mod qs_scf.mod mp2.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy_utils.F qs_energy_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:39:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_energy_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy_utils.mod' due to: qs_energy_utils.o /build/reproducible-path/cp2k-8.1/src/qs_energy_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod pw_env_types.mod qs_rho_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod pw_types.mod atprop_types.mod kinds.mod xas_tdp_methods.mod cp_external_control.mod cp_control_utils.mod qs_integrate_potential.mod cp_fm_struct.mod base_hooks.mod et_coupling_proj.mod qs_tddfpt2_methods.mod et_coupling.mod qs_ks_methods.mod kpoint_methods.mod qs_linres_module.mod xas_methods.mod qs_scf.mod mp2.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'et_coupling.o' due to: /build/reproducible-path/cp2k-8.1/src/et_coupling.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_energy_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod mathlib.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_matrix_pools.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/et_coupling.F et_coupling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:43:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' et_coupling.F90 +/build/reproducible-path/cp2k-8.1/src/et_coupling.F:222:23: + + 222 | W_mat(1, 1) = Wbb + | ^ +Warning: 'wbb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/et_coupling.F:223:23: + + 223 | W_mat(2, 2) = Waa + | ^ +Warning: 'waa' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/et_coupling.F:243:61: + + 243 | a(1) = (energy%total + strength*Wbb)*Sda - strength*Wda + | ^ +Warning: 'strength' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'et_coupling.mod' due to: et_coupling.o /build/reproducible-path/cp2k-8.1/src/et_coupling.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_energy_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod mathlib.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_matrix_pools.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod cp_control_types.mod qs_environment_types.mod qs_ks_methods.mod dm_ls_scf.mod lri_environment_methods.mod qs_environment_methods.mod energy_corrections.mod base_hooks.mod qs_scf.mod almo_scf.mod qs_energy_utils.mod qs_energy_init.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy.F qs_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:39:37 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_energy.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy.mod' due to: qs_energy.o /build/reproducible-path/cp2k-8.1/src/qs_energy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod cp_control_types.mod qs_environment_types.mod qs_ks_methods.mod dm_ls_scf.mod lri_environment_methods.mod qs_environment_methods.mod energy_corrections.mod base_hooks.mod qs_scf.mod almo_scf.mod qs_energy_utils.mod qs_energy_init.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_types.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod qs_loc_types.mod cp_fm_types.mod qs_ot_types.mod cp_para_types.mod qs_grid_atom.mod mathlib.mod libint_wrapper.mod cp_para_env.mod memory_utilities.mod kinds.mod base_hooks.mod physcon.mod qs_harmonics_atom.mod cp_files.mod libint_2c_3c.mod input_constants.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_types.F xas_tdp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_types.mod' due to: xas_tdp_types.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod qs_loc_types.mod cp_fm_types.mod qs_ot_types.mod cp_para_types.mod qs_grid_atom.mod mathlib.mod libint_wrapper.mod cp_para_env.mod memory_utilities.mod kinds.mod base_hooks.mod physcon.mod qs_harmonics_atom.mod cp_files.mod libint_2c_3c.mod input_constants.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation_forces.o' due to: /build/reproducible-path/cp2k-8.1/src/rt_propagation_forces.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod rt_propagation_types.mod admm_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_mo_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_overlap.mod cp_gemm_interface.mod cp_dbcsr_cp2k_link.mod cp_fm_vect.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rt_propagation_forces.F rt_propagation_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:39:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rt_propagation_forces.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation_forces.mod' due to: rt_propagation_forces.o /build/reproducible-path/cp2k-8.1/src/rt_propagation_forces.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_force_types.mod rt_propagation_types.mod admm_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_mo_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_overlap.mod cp_gemm_interface.mod cp_dbcsr_cp2k_link.mod cp_fm_vect.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_kernel.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_kernel.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod distribution_2d_types.mod xas_tdp_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod util.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod qs_integral_utils.mod message_passing.mod particle_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_kernel.F xas_tdp_kernel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_kernel.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_kernel.mod' due to: xas_tdp_kernel.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_kernel.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod distribution_2d_types.mod xas_tdp_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod qs_environment_types.mod util.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod qs_integral_utils.mod message_passing.mod particle_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_force.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_subsys_types.mod admm_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod lri_environment_types.mod kinds.mod qs_core_energies.mod message_passing.mod se_core_matrix.mod cp_dbcsr_operations.mod se_core_core.mod ri_environment_methods.mod qs_dftb_dispersion.mod qs_core_hamiltonian.mod efield_utils.mod admm_methods.mod qs_rho_methods.mod mulliken.mod qs_external_potential.mod cp_output_handling.mod qs_energy.mod base_hooks.mod xtb_matrices.mod cp_log_handling.mod energy_corrections.mod qs_environment_methods.mod input_constants.mod dft_plus_u.mod qs_ks_methods.mod rt_propagation_forces.mod qs_scf_post_scf.mod cp_dbcsr_output.mod qs_dftb_matrices.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_force.F qs_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:39:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_force.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_force.mod' due to: qs_force.o /build/reproducible-path/cp2k-8.1/src/qs_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod qs_force_types.mod qs_subsys_types.mod admm_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod lri_environment_types.mod kinds.mod qs_core_energies.mod message_passing.mod se_core_matrix.mod cp_dbcsr_operations.mod se_core_core.mod ri_environment_methods.mod qs_dftb_dispersion.mod qs_core_hamiltonian.mod efield_utils.mod admm_methods.mod qs_rho_methods.mod mulliken.mod qs_external_potential.mod cp_output_handling.mod qs_energy.mod base_hooks.mod xtb_matrices.mod cp_log_handling.mod energy_corrections.mod qs_environment_methods.mod input_constants.mod dft_plus_u.mod qs_ks_methods.mod rt_propagation_forces.mod qs_scf_post_scf.mod cp_dbcsr_output.mod qs_dftb_matrices.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_correction.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xas_tdp_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod cp_control_types.mod qs_environment_types.mod admm_utils.mod cp_log_handling.mod message_passing.mod util.mod hfx_admm_utils.mod bibliography.mod cp_cfm_diag.mod cp_blacs_env.mod machine.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod physcon.mod xas_tdp_kernel.mod cp_dbcsr_operations.mod cp_array_utils.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F xas_tdp_correction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_correction.F90 +/build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F:516:46: + + 516 | nbatch_occ = MAX(1, nblk_occ/batch_size) + | ^ +Warning: 'nblk_occ' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F:517:48: + + 517 | nbatch_virt = MAX(1, nblk_virt/batch_size) + | ^ +Warning: 'nblk_virt' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_correction.mod' due to: xas_tdp_correction.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_correction.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xas_tdp_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod cp_control_types.mod qs_environment_types.mod admm_utils.mod cp_log_handling.mod message_passing.mod util.mod hfx_admm_utils.mod bibliography.mod cp_cfm_diag.mod cp_blacs_env.mod machine.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod physcon.mod xas_tdp_kernel.mod cp_dbcsr_operations.mod cp_array_utils.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mol_force.o' due to: /build/reproducible-path/cp2k-8.1/src/mol_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_field_kind_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mol_force.F mol_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:39:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mol_force.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mol_force.mod' due to: mol_force.o /build/reproducible-path/cp2k-8.1/src/mol_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_field_kind_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_integrals.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_integrals.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod xas_tdp_types.mod particle_types.mod qs_o3c_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod distribution_1d_types.mod basis_set_types.mod eri_mme_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod generic_os_integrals.mod message_passing.mod cp_eri_mme_interface.mod mathlib.mod orbital_pointers.mod qs_neighbor_lists.mod cp_blacs_env.mod particle_methods.mod libint_wrapper.mod t_c_g0.mod kinds.mod base_hooks.mod eri_mme_integrate.mod ai_contraction_sphi.mod constants_operator.mod cp_files.mod cp_dbcsr_operations.mod gamma.mod libint_2c_3c.mod qs_integral_utils.mod input_constants.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_integrals.F xas_tdp_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_integrals.F90 +/build/reproducible-path/cp2k-8.1/src/xas_tdp_integrals.F:486:96: + + 486 | !$OMP iabc,sabc,jset,kset,ncob,ncoc,sgfb,sgfc,egfb,egfc,sabc_ext,cpp_buffer,ccp_buffer) + | ^ +Warning: 'my_eps_screen' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_integrals.mod' due to: xas_tdp_integrals.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_integrals.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod xas_tdp_types.mod particle_types.mod qs_o3c_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod distribution_1d_types.mod basis_set_types.mod eri_mme_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod generic_os_integrals.mod message_passing.mod cp_eri_mme_interface.mod mathlib.mod orbital_pointers.mod qs_neighbor_lists.mod cp_blacs_env.mod particle_methods.mod libint_wrapper.mod t_c_g0.mod kinds.mod base_hooks.mod eri_mme_integrate.mod ai_contraction_sphi.mod constants_operator.mod cp_files.mod cp_dbcsr_operations.mod gamma.mod libint_2c_3c.mod qs_integral_utils.mod input_constants.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_intra_force.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_intra_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod atprop_types.mod molecule_types.mod kinds.mod mol_force.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_intra_force.F fist_intra_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:39:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_intra_force.F90 -/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:119:64: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod xas_tdp_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod cp_para_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_dbcsr_diag.mod mathlib.mod cp_cfm_diag.mod cp_blacs_env.mod cp_gemm_interface.mod cp_fm_struct.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod cp_cfm_basic_linalg.mod physcon.mod xas_tdp_kernel.mod qs_mo_methods.mod cp_dbcsr_operations.mod qs_ot_eigensolver.mod input_constants.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_utils.F xas_tdp_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_utils.mod' due to: xas_tdp_utils.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod xas_tdp_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod cp_para_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_dbcsr_diag.mod mathlib.mod cp_cfm_diag.mod cp_blacs_env.mod cp_gemm_interface.mod cp_fm_struct.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod cp_cfm_basic_linalg.mod physcon.mod xas_tdp_kernel.mod qs_mo_methods.mod cp_dbcsr_operations.mod qs_ot_eigensolver.mod input_constants.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xas_tdp_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod particle_types.mod xc_rho_cflags_types.mod cp_para_types.mod qs_kind_types.mod xc_derivative_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod xc.mod message_passing.mod util.mod spherical_harmonics.mod qs_grid_atom.mod xas_tdp_integrals.mod mathlib.mod orbital_pointers.mod cp_blacs_env.mod particle_methods.mod cp_para_env.mod mathconstants.mod memory_utilities.mod qs_overlap.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod physcon.mod ai_contraction_sphi.mod qs_harmonics_atom.mod orbital_transformation_matrices.mod cp_dbcsr_operations.mod libint_2c_3c.mod xc_derivatives.mod qs_integral_utils.mod input_constants.mod lebedev.mod cp_array_utils.mod xc_atom.mod atom_operators.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F xas_tdp_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_atom.F90 +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:409:32: - 119 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: pv_a + 409 | new_nr = nr - first_ir + 1 + | ^ +Warning: 'first_ir' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:396:68: + + 396 | INTEGER :: first_ir, ir, llmax_p1, na, new_nr, nr + | ^ +note: 'first_ir' was declared here +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1132:63: + + 1132 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: dso + | ^ +Warning: 'dso.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1133:70: + + 1133 | REAL(dp), DIMENSION(:, :), POINTER :: dgr1, dgr2, ga, gr, ri_sphi_so, zet + | ^ +Warning: 'dgr2.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1133:70: Warning: 'dgr2.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: + + 1228 | dgr2(:, iso_proc:iso_proc), nr, 1.0_dp, dso(:, :, dir), na) + | ^ +Warning: 'dgr2.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: Warning: 'dgr2.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: Warning: 'dgr2.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: Warning: 'dgr2.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1133:64: + + 1133 | REAL(dp), DIMENSION(:, :), POINTER :: dgr1, dgr2, ga, gr, ri_sphi_so, zet | ^ -Warning: 'pv_a.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:119:64: Warning: 'pv_a.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:414:88: +Warning: 'dgr1.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1133:64: Warning: 'dgr1.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: - 414 | CALL get_pv_torsion(k1, k3, k4, t12, t32, t43, pv_a(:, :, index_d)) - | ^ -Warning: 'pv_a.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:118:66: + 1226 | dgr1(:, iso_proc:iso_proc), nr, 0.0_dp, dso(:, :, dir), na) + | ^ +Warning: 'dgr1.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: Warning: 'dgr1.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: Warning: 'dgr1.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: Warning: 'dgr1.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:70: - 118 | REAL(KIND=dp), DIMENSION(:), POINTER :: ener_a - | ^ -Warning: 'ener_a.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:118:66: Warning: 'ener_a.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_intra_force.F:387:71: + 1134 | REAL(dp), DIMENSION(:, :, :), POINTER :: dga1, dga2, rhoa, rhob + | ^ +Warning: 'dga2.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: 'dga2.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: 'dga2.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: 'dga2.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: - 387 | ener_a(index_d) = ener_a(index_d) + energy*0.25_dp - | ^ -Warning: 'ener_a.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_intra_force.mod' due to: fist_intra_force.o /build/reproducible-path/cp2k-8.1/src/fist_intra_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod atprop_types.mod molecule_types.mod kinds.mod mol_force.mod cp_log_handling.mod base_hooks.mod + 1228 | dgr2(:, iso_proc:iso_proc), nr, 1.0_dp, dso(:, :, dir), na) + | ^ +Warning: 'dga2.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: Warning: 'dga2.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1228:85: Warning: 'dga2.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:64: + + 1134 | REAL(dp), DIMENSION(:, :, :), POINTER :: dga1, dga2, rhoa, rhob + | ^ +Warning: 'dga1.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: 'dga1.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: 'dga1.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: 'dga1.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: + + 1226 | dgr1(:, iso_proc:iso_proc), nr, 0.0_dp, dso(:, :, dir), na) + | ^ +Warning: 'dga1.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: Warning: 'dga1.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1226:85: Warning: 'dga1.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: + + 1315 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos + | ^ +Warning: 'dsgf.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: 'dsgf.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: 'dsgf.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: 'dsgf.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1553:37: + + 1553 | IF (do_gga) dsgf = 0.0_dp + | ^ +Warning: 'dsgf.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: + + 1315 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos + | ^ +note: 'dsgf.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: 'dsgf.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_atom.mod' due to: xas_tdp_atom.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_atom.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xas_tdp_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod particle_types.mod xc_rho_cflags_types.mod cp_para_types.mod qs_kind_types.mod xc_derivative_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod xc.mod message_passing.mod util.mod spherical_harmonics.mod qs_grid_atom.mod xas_tdp_integrals.mod mathlib.mod orbital_pointers.mod cp_blacs_env.mod particle_methods.mod cp_para_env.mod mathconstants.mod memory_utilities.mod qs_overlap.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod physcon.mod ai_contraction_sphi.mod qs_harmonics_atom.mod orbital_transformation_matrices.mod cp_dbcsr_operations.mod libint_2c_3c.mod xc_derivatives.mod qs_integral_utils.mod input_constants.mod lebedev.mod cp_array_utils.mod xc_atom.mod atom_operators.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_pol_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_pol_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 multipole_types.mod atomic_kind_types.mod input_section_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod ewald_environment_types.mod ewald_pw_types.mod fist_nonbond_env_types.mod pw_poisson_types.mod fist_energy_types.mod kinds.mod message_passing.mod ewalds_multipole.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_pol_scf.F fist_pol_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:39:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_pol_scf.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_pol_scf.mod' due to: fist_pol_scf.o /build/reproducible-path/cp2k-8.1/src/fist_pol_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 multipole_types.mod atomic_kind_types.mod input_section_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod ewald_environment_types.mod ewald_pw_types.mod fist_nonbond_env_types.mod pw_poisson_types.mod fist_energy_types.mod kinds.mod message_passing.mod ewalds_multipole.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xas_tdp_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod xas_tdp_types.mod qs_loc_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod parallel_rng_types.mod particle_types.mod admm_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod admm_utils.mod input_cp2k_dft.mod xas_methods.mod cp_fm_basic_linalg.mod qs_loc_utils.mod cp_log_handling.mod message_passing.mod qs_pdos.mod util.mod qs_interactions.mod xas_tdp_correction.mod xas_tdp_integrals.mod mathlib.mod cp_blacs_env.mod particle_methods.mod cp_output_handling.mod libint_wrapper.mod machine.mod periodic_table.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod xas_tdp_utils.mod physcon.mod qs_mo_methods.mod cp_files.mod xc_write_output.mod cp_dbcsr_operations.mod input_constants.mod qs_operators_ao.mod xas_tdp_atom.mod qs_loc_methods.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F xas_tdp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_methods.F90 +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2514:26: + + 2514 | nmo = SIZE(lr_evals) + | ^ +Warning: 'lr_evals.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2514:26: Warning: 'lr_evals.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2443:68: + + 2443 | REAL(dp), DIMENSION(:), POINTER :: lr_evals + | ^ +Warning: 'lr_evals.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2443:68: Warning: 'lr_evals.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2612:33: + + 2612 | IF (nspins == 1 .AND. ndo_mo == 1) THEN + | ^ +Warning: 'nspins' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:1501:41: + + 1501 | ALLOCATE (my_mos(n_states, nspins)) + | ^ +Warning: 'n_states' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2056:27: + + 2056 | nosc = SIZE(lr_evals) + | ^ +Warning: 'lr_evals.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2056:27: Warning: 'lr_evals.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2027:68: + + 2027 | REAL(dp), DIMENSION(:), POINTER :: lr_evals, osc_str + | ^ +Warning: 'lr_evals.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2027:68: Warning: 'lr_evals.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2054:28: + + 2054 | ndo_so = ndo_mo*nspins + | ^ +Warning: 'nspins' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2170:27: + + 2170 | nosc = SIZE(lr_evals) + | ^ +Warning: 'lr_evals.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2170:27: Warning: 'lr_evals.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2141:68: + + 2141 | REAL(dp), DIMENSION(:), POINTER :: lr_evals, osc_str + | ^ +Warning: 'lr_evals.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2141:68: Warning: 'lr_evals.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F:2168:28: + + 2168 | ndo_so = ndo_mo*nspins + | ^ +Warning: 'nspins' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'xas_tdp_methods.mod' due to: xas_tdp_methods.o /build/reproducible-path/cp2k-8.1/src/xas_tdp_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod xas_tdp_types.mod qs_loc_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod parallel_rng_types.mod particle_types.mod admm_types.mod cp_para_types.mod qs_kind_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_environment_types.mod admm_utils.mod input_cp2k_dft.mod xas_methods.mod cp_fm_basic_linalg.mod qs_loc_utils.mod cp_log_handling.mod message_passing.mod qs_pdos.mod util.mod qs_interactions.mod xas_tdp_correction.mod xas_tdp_integrals.mod mathlib.mod cp_blacs_env.mod particle_methods.mod cp_output_handling.mod libint_wrapper.mod machine.mod periodic_table.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod xas_tdp_utils.mod physcon.mod qs_mo_methods.mod cp_files.mod xc_write_output.mod cp_dbcsr_operations.mod input_constants.mod qs_operators_ao.mod xas_tdp_atom.mod qs_loc_methods.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ewalds.o' due to: /build/reproducible-path/cp2k-8.1/src/ewalds.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod dg_types.mod shell_potential_types.mod structure_factor_types.mod distribution_1d_types.mod ewald_pw_types.mod particle_types.mod dg_rho0_types.mod cell_types.mod ewald_environment_types.mod pw_pool_types.mod pw_poisson_types.mod kinds.mod message_passing.mod bibliography.mod base_hooks.mod mathconstants.mod structure_factors.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ewalds.F ewalds.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ewalds.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ewalds.mod' due to: ewalds.o /build/reproducible-path/cp2k-8.1/src/ewalds.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod dg_types.mod shell_potential_types.mod structure_factor_types.mod distribution_1d_types.mod ewald_pw_types.mod particle_types.mod dg_rho0_types.mod cell_types.mod ewald_environment_types.mod pw_pool_types.mod pw_poisson_types.mod kinds.mod message_passing.mod bibliography.mod base_hooks.mod mathconstants.mod structure_factors.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'et_coupling_proj.o' due to: /build/reproducible-path/cp2k-8.1/src/et_coupling_proj.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod basis_set_types.mod cp_control_types.mod scf_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_realspace_grid_cube.mod bibliography.mod orbital_pointers.mod cp_blacs_env.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_mo_occupation.mod physcon.mod qs_mo_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/et_coupling_proj.F et_coupling_proj.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' et_coupling_proj.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'et_coupling_proj.mod' due to: et_coupling_proj.o /build/reproducible-path/cp2k-8.1/src/et_coupling_proj.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod basis_set_types.mod cp_control_types.mod scf_control_types.mod particle_list_types.mod cell_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_realspace_grid_cube.mod bibliography.mod orbital_pointers.mod cp_blacs_env.mod cp_output_handling.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_mo_occupation.mod physcon.mod qs_mo_methods.mod cp_dbcsr_operations.mod qs_collocate_density.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_siepmann.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_siepmann.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod fist_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod fist_nonbond_env_types.mod pair_potential_types.mod kinds.mod util.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_siepmann.F manybody_siepmann.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' manybody_siepmann.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_siepmann.mod' due to: manybody_siepmann.o /build/reproducible-path/cp2k-8.1/src/manybody_siepmann.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod fist_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod fist_nonbond_env_types.mod pair_potential_types.mod kinds.mod util.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod pw_env_types.mod atprop_types.mod pw_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod xas_methods.mod qs_tddfpt2_methods.mod kpoint_methods.mod qs_linres_module.mod mp2.mod qs_scf.mod cp_fm_struct.mod kinds.mod base_hooks.mod et_coupling.mod qs_ks_methods.mod xas_tdp_methods.mod qs_integrate_potential.mod cp_external_control.mod cp_control_utils.mod et_coupling_proj.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy_utils.F qs_energy_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy_utils.mod' due to: qs_energy_utils.o /build/reproducible-path/cp2k-8.1/src/qs_energy_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod pw_env_types.mod atprop_types.mod pw_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod xas_methods.mod qs_tddfpt2_methods.mod kpoint_methods.mod qs_linres_module.mod mp2.mod qs_scf.mod cp_fm_struct.mod kinds.mod base_hooks.mod et_coupling.mod qs_ks_methods.mod xas_tdp_methods.mod qs_integrate_potential.mod cp_external_control.mod cp_control_utils.mod et_coupling_proj.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_gal.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_gal.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod fist_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod fist_nonbond_env_types.mod pair_potential_types.mod kinds.mod util.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_gal.F manybody_gal.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' manybody_gal.F90 -/build/reproducible-path/cp2k-8.1/src/manybody_gal.F:171:126: - - 171 | - gal%bxy*drji2*sinalpha*sinalpha)) - | ^ -Warning: 'sinalpha' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/manybody_gal.F:171:126: Warning: 'cosalpha' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/manybody_gal.F:172:33: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_lbfgs_types.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_lbfgs_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_lbfgs_types.F almo_scf_lbfgs_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_lbfgs_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_lbfgs_types.mod' due to: almo_scf_lbfgs_types.o /build/reproducible-path/cp2k-8.1/src/almo_scf_lbfgs_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_log_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'domain_submatrix_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/domain_submatrix_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/domain_submatrix_methods.F domain_submatrix_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' domain_submatrix_methods.F90 +/build/reproducible-path/cp2k-8.1/src/domain_submatrix_methods.F:771:31: - 172 | IF (weight == 0 .AND. index_outfile > 0) WRITE (index_outfile, *) "Fermi 0" - | ^ -Warning: 'weight' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_gal.mod' due to: manybody_gal.o /build/reproducible-path/cp2k-8.1/src/manybody_gal.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod fist_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod fist_nonbond_env_types.mod pair_potential_types.mod kinds.mod util.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod mathlib.mod + 771 | SUBROUTINE trace_submatrices(A, B, trace) + | ^ +Warning: 'trace_submatrices' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'domain_submatrix_methods.mod' due to: domain_submatrix_methods.o /build/reproducible-path/cp2k-8.1/src/domain_submatrix_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod kinds.mod message_passing.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_quip.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_quip.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod fist_nonbond_env_types.mod pair_potential_types.mod kinds.mod bibliography.mod cp_log_handling.mod base_hooks.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_quip.F manybody_quip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' manybody_quip.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_quip.mod' due to: manybody_quip.o /build/reproducible-path/cp2k-8.1/src/manybody_quip.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod fist_nonbond_env_types.mod pair_potential_types.mod kinds.mod bibliography.mod cp_log_handling.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_diis_types.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod kinds.mod domain_submatrix_methods.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F almo_scf_diis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_diis_types.F90 +/build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F:516:41: + + 516 | almo_scf_diis_error_overlap = trace + | ^ +Warning: 'trace' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F:516:41: Warning: 'trace' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F:317:75: + + 317 | diis_env%m_b(idomain)%mdata(in_point + 1, irow + 1) = trace0 + | ^ +Warning: 'trace0' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_diis_types.mod' due to: almo_scf_diis_types.o /build/reproducible-path/cp2k-8.1/src/almo_scf_diis_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod kinds.mod domain_submatrix_methods.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_eam.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_eam.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fist_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod fist_nonbond_env_types.mod pair_potential_types.mod kinds.mod bibliography.mod message_passing.mod base_hooks.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_eam.F manybody_eam.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' manybody_eam.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_eam.mod' due to: manybody_eam.o /build/reproducible-path/cp2k-8.1/src/manybody_eam.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fist_neighbor_list_types.mod cp_para_types.mod particle_types.mod cell_types.mod fist_nonbond_env_types.mod pair_potential_types.mod kinds.mod bibliography.mod message_passing.mod base_hooks.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ct_types.o' due to: /build/reproducible-path/cp2k-8.1/src/ct_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod base_hooks.mod input_constants.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ct_types.F ct_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ct_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ct_types.mod' due to: ct_types.o /build/reproducible-path/cp2k-8.1/src/ct_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kinds.mod base_hooks.mod input_constants.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_tersoff.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_tersoff.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fist_neighbor_list_types.mod cell_types.mod fist_nonbond_env_types.mod pair_potential_types.mod kinds.mod util.mod base_hooks.mod mathconstants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_tersoff.F manybody_tersoff.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' manybody_tersoff.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_tersoff.mod' due to: manybody_tersoff.o /build/reproducible-path/cp2k-8.1/src/manybody_tersoff.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 fist_neighbor_list_types.mod cell_types.mod fist_nonbond_env_types.mod pair_potential_types.mod kinds.mod util.mod base_hooks.mod mathconstants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ct_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/ct_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ct_types.mod cp_dbcsr_cholesky.mod kinds.mod cp_log_handling.mod iterate_matrix.mod base_hooks.mod input_constants.mod cp_dbcsr_diag.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ct_methods.F ct_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ct_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ct_methods.mod' due to: ct_methods.o /build/reproducible-path/cp2k-8.1/src/ct_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 ct_types.mod cp_dbcsr_cholesky.mod kinds.mod cp_log_handling.mod iterate_matrix.mod base_hooks.mod input_constants.mod cp_dbcsr_diag.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'manybody_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/manybody_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod particle_types.mod pair_potential_types.mod input_section_types.mod fist_neighbor_list_types.mod cell_types.mod cp_para_types.mod fist_nonbond_env_types.mod kinds.mod message_passing.mod util.mod base_hooks.mod manybody_siepmann.mod manybody_gal.mod manybody_quip.mod manybody_eam.mod mathlib.mod manybody_tersoff.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/manybody_potential.F manybody_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' manybody_potential.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'manybody_potential.mod' due to: manybody_potential.o /build/reproducible-path/cp2k-8.1/src/manybody_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod particle_types.mod pair_potential_types.mod input_section_types.mod fist_neighbor_list_types.mod cell_types.mod cp_para_types.mod fist_nonbond_env_types.mod kinds.mod message_passing.mod util.mod base_hooks.mod manybody_siepmann.mod manybody_gal.mod manybody_quip.mod manybody_eam.mod mathlib.mod manybody_tersoff.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_qs.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod almo_scf_types.mod molecule_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_units.mod cp_dbcsr_cp2k_link.mod qs_rho_methods.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_dbcsr_operations.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F almo_scf_qs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_qs.F90 +/build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F:248:47: + + 248 | ALLOCATE (distr_new_array(nlength)) + | ^ +Warning: 'nlength' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F:1190:22: + + 1190 | IF (overlap .EQ. 0.0_dp) THEN + | ^ +Warning: 'overlap' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F:1349:120: + + 1349 | p_new_block(:, :) = 1.0_dp/(1.0_dp + EXP((r1 - r0)/(r0 - distance) + (r1 - r0)/(r1 - distance))) + | ^ +Warning: 'distance' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F:1303:63: + + 1303 | rcov=contact2_radius) + | ^ +Warning: 'contact_atom_2' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F:1301:63: + + 1301 | rcov=contact1_radius) + | ^ +Warning: 'contact_atom_1' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_qs.mod' due to: almo_scf_qs.o /build/reproducible-path/cp2k-8.1/src/almo_scf_qs.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod qs_scf_types.mod qs_mo_types.mod particle_types.mod almo_scf_types.mod molecule_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_units.mod cp_dbcsr_cp2k_link.mod qs_rho_methods.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_nonbond_force.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod distribution_1d_types.mod particle_types.mod pair_potential_types.mod fist_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod splines_types.mod fist_nonbond_env_types.mod atprop_types.mod kinds.mod message_passing.mod base_hooks.mod mathconstants.mod machine.mod cp_log_handling.mod pair_potential_coulomb.mod splines_methods.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F fist_nonbond_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_nonbond_force.F90 -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:442:96: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod domain_submatrix_types.mod almo_scf_types.mod util.mod cp_dbcsr_cholesky.mod domain_submatrix_methods.mod kinds.mod cp_log_handling.mod iterate_matrix.mod fermi_utils.mod input_constants.mod base_hooks.mod bibliography.mod mathlib.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F almo_scf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:44:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_methods.F90 +/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:3034:33: - 442 | ei_interaction_cutoffs(2, kind_a, kind_b)) - | ^ -Warning: 'qcore_b' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:60: + 3034 | SUBROUTINE pseudo_matrix_power(A, Apow, power, N, range1, range1_thr, shift) + | ^ +Warning: 'pseudo_matrix_power' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:2816:79: - 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qcore_b' was declared here -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:399:96: + 2816 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: temp1, temp2, temp3, temp4 + | ^ +Warning: 'temp3.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:2816:79: Warning: 'temp3.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:2957:21: - 399 | ei_interaction_cutoffs(1, kind_a, kind_b)) - | ^ -Warning: 'qcore_a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:51: + 2957 | ELSE IF (use_thr_only) THEN + | ^ +Warning: 'use_thr_only' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:2941:16: - 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qcore_a' was declared here -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:419:96: + 2941 | IF (use_ranges_only) THEN + | ^ +Warning: 'use_ranges_only' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F:2928:13: - 419 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qshell_b' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:96: + 2928 | IF (use_both) THEN + | ^ +Warning: 'use_both' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_methods.mod' due to: almo_scf_methods.o /build/reproducible-path/cp2k-8.1/src/almo_scf_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod domain_submatrix_types.mod almo_scf_types.mod util.mod cp_dbcsr_cholesky.mod domain_submatrix_methods.mod kinds.mod cp_log_handling.mod iterate_matrix.mod fermi_utils.mod input_constants.mod base_hooks.mod bibliography.mod mathlib.mod cp_blacs_env.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf_optimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod domain_submatrix_types.mod almo_scf_lbfgs_types.mod almo_scf_diis_types.mod particle_types.mod almo_scf_types.mod cp_para_types.mod qs_kind_types.mod ct_types.mod qs_energy_types.mod cell_types.mod qs_environment_types.mod qs_loc_utils.mod cp_log_handling.mod qs_localization_methods.mod message_passing.mod ct_methods.mod almo_scf_qs.mod cp_blacs_env.mod particle_methods.mod cp_output_handling.mod machine.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod cp_external_control.mod almo_scf_methods.mod cp_files.mod domain_submatrix_methods.mod iterate_matrix.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F almo_scf_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_optimizer.F90 +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:3218:25: - 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qshell_b' was declared here -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:419:96: + 3218 | SUBROUTINE split_v_blk(almo_scf_env) + | ^ +Warning: 'split_v_blk' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:3287:39: - 419 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qshell_a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:86: + 3287 | SUBROUTINE harris_foulkes_correction(almo_scf_env) + | ^ +Warning: 'harris_foulkes_correction' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:4922:41: - 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qshell_a' was declared here -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:478:96: + 4922 | SUBROUTINE opt_k_create_preconditioner(prec, vd_prop, f, x, oo_inv_x_tr, s, grad, & + | ^ +Warning: 'opt_k_create_preconditioner' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:2039:74: - 478 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qeff_b' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:76: + 2039 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: op_sm_set_almo, op_sm_set_qs + | ^ +Warning: 'op_sm_set_almo.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:2044:64: - 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qeff_b' was declared here -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:460:96: + 2044 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 + | ^ +Warning: 'm_b0.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:2044:64: Warning: 'm_b0.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:2044:64: Warning: 'm_b0.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1207:78: - 460 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qeff_a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:110:68: + 1207 | DO idim0 = 1, SIZE(op_sm_set_qs, 2) ! this loop is over miller ind + | ^ +Warning: 'op_sm_set_qs.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1207:78: Warning: 'op_sm_set_qs.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1208:75: - 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qeff_a' was declared here -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:533:31: + 1208 | DO reim = 1, SIZE(op_sm_set_qs, 1) ! this loop is over Re/Im + | ^ +Warning: 'op_sm_set_qs.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1208:75: Warning: 'op_sm_set_qs.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1211:77: - 533 | !$OMP ATOMIC - | ^ -Warning: 'shell_b' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:104:59: + 1211 | almo_scf_env%mat_distr_aos, .FALSE.) + | ^ +Warning: 'op_sm_set_qs.data' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1798:64: - 104 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type - | ^ -note: 'shell_b' was declared here -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:525:31: + 1798 | step_size = next_step_size_guess*1.05_dp + | ^ +Warning: 'next_step_size_guess' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1816:55: - 525 | !$OMP ATOMIC - | ^ -Warning: 'shell_a' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F:104:50: + 1816 | appr_sec_der = (g1 - g0)/step_size + | ^ +Warning: 'g0' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F:1829:76: - 104 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type - | ^ -note: 'shell_a' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_nonbond_force.mod' due to: fist_nonbond_force.o /build/reproducible-path/cp2k-8.1/src/fist_nonbond_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod distribution_1d_types.mod particle_types.mod pair_potential_types.mod fist_neighbor_list_types.mod cell_types.mod ewald_environment_types.mod splines_types.mod fist_nonbond_env_types.mod atprop_types.mod kinds.mod message_passing.mod base_hooks.mod mathconstants.mod machine.mod cp_log_handling.mod pair_potential_coulomb.mod splines_methods.mod mathlib.mod + 1829 | appr_sec_der = 2.0*((e1 - e0)/step_size - g0)/step_size + | ^ +Warning: 'e0' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf_optimizer.mod' due to: almo_scf_optimizer.o /build/reproducible-path/cp2k-8.1/src/almo_scf_optimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod domain_submatrix_types.mod almo_scf_lbfgs_types.mod almo_scf_diis_types.mod particle_types.mod almo_scf_types.mod cp_para_types.mod qs_kind_types.mod ct_types.mod qs_energy_types.mod cell_types.mod qs_environment_types.mod qs_loc_utils.mod cp_log_handling.mod qs_localization_methods.mod message_passing.mod ct_methods.mod almo_scf_qs.mod cp_blacs_env.mod particle_methods.mod cp_output_handling.mod machine.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod cp_external_control.mod almo_scf_methods.mod cp_files.mod domain_submatrix_methods.mod iterate_matrix.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_efield_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_efield_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod fist_efield_types.mod input_section_types.mod fist_environment_types.mod particle_types.mod cell_types.mod cp_result_types.mod kinds.mod moments_utils.mod cp_result_methods.mod base_hooks.mod mathconstants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_efield_methods.F fist_efield_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_efield_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_efield_methods.mod' due to: fist_efield_methods.o /build/reproducible-path/cp2k-8.1/src/fist_efield_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod fist_efield_types.mod input_section_types.mod fist_environment_types.mod particle_types.mod cell_types.mod cp_result_types.mod kinds.mod moments_utils.mod cp_result_methods.mod base_hooks.mod mathconstants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'almo_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/almo_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_scf_types.mod mscfg_types.mod qs_mo_types.mod particle_types.mod almo_scf_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod almo_scf_optimizer.mod cp_dbcsr_diag.mod message_passing.mod almo_scf_qs.mod qs_initial_guess.mod mathlib.mod bibliography.mod qs_scf_post_scf.mod cp_blacs_env.mod cp_para_env.mod kinds.mod base_hooks.mod almo_scf_methods.mod cp_dbcsr_operations.mod domain_submatrix_methods.mod iterate_matrix.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/almo_scf.F almo_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'almo_scf.mod' due to: almo_scf.o /build/reproducible-path/cp2k-8.1/src/almo_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_scf_types.mod mscfg_types.mod qs_mo_types.mod particle_types.mod almo_scf_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod qs_environment_types.mod cp_log_handling.mod almo_scf_optimizer.mod cp_dbcsr_diag.mod message_passing.mod almo_scf_qs.mod qs_initial_guess.mod mathlib.mod bibliography.mod qs_scf_post_scf.mod cp_blacs_env.mod cp_para_env.mod kinds.mod base_hooks.mod almo_scf_methods.mod cp_dbcsr_operations.mod domain_submatrix_methods.mod iterate_matrix.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pme.o' due to: /build/reproducible-path/cp2k-8.1/src/pme.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod dg_types.mod shell_potential_types.mod structure_factor_types.mod ewald_pw_types.mod particle_types.mod cell_types.mod ewald_environment_types.mod pw_pool_types.mod realspace_grid_types.mod pw_types.mod atprop_types.mod dg_rho0_types.mod pw_poisson_types.mod kinds.mod pme_tools.mod bibliography.mod base_hooks.mod mathconstants.mod dgs.mod pw_poisson_methods.mod structure_factors.mod pw_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pme.F pme.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pme.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pme.mod' due to: pme.o /build/reproducible-path/cp2k-8.1/src/pme.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod pw_grid_types.mod dg_types.mod shell_potential_types.mod structure_factor_types.mod ewald_pw_types.mod particle_types.mod cell_types.mod ewald_environment_types.mod pw_pool_types.mod realspace_grid_types.mod pw_types.mod atprop_types.mod dg_rho0_types.mod pw_poisson_types.mod kinds.mod pme_tools.mod bibliography.mod base_hooks.mod mathconstants.mod dgs.mod pw_poisson_methods.mod structure_factors.mod pw_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_curvy.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_curvy.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod mathconstants.mod kinds.mod cp_log_handling.mod iterate_matrix.mod base_hooks.mod input_constants.mod mathlib.mod bibliography.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf_curvy.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_curvy.mod' due to: dm_ls_scf_curvy.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf_curvy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod mathconstants.mod kinds.mod cp_log_handling.mod iterate_matrix.mod base_hooks.mod input_constants.mod mathlib.mod bibliography.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_force.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod fist_efield_types.mod shell_potential_types.mod distribution_1d_types.mod ewald_pw_types.mod fist_energy_types.mod fist_environment_types.mod particle_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod molecule_types.mod multipole_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod fist_nonbond_env_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod message_passing.mod fist_intra_force.mod ewalds_multipole.mod fist_pol_scf.mod ewald_pw_methods.mod ewalds.mod spme.mod manybody_potential.mod cp_output_handling.mod base_hooks.mod fist_nonbond_force.mod fist_efield_methods.mod cp_log_handling.mod input_constants.mod fist_neighbor_list_control.mod pme.mod cp_units.mod manybody_eam.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_force.F fist_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_force.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_force.mod' due to: fist_force.o /build/reproducible-path/cp2k-8.1/src/fist_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod fist_efield_types.mod shell_potential_types.mod distribution_1d_types.mod ewald_pw_types.mod fist_energy_types.mod fist_environment_types.mod particle_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod ewald_environment_types.mod molecule_types.mod multipole_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod fist_nonbond_env_types.mod atprop_types.mod pw_poisson_types.mod kinds.mod message_passing.mod fist_intra_force.mod ewalds_multipole.mod fist_pol_scf.mod ewald_pw_methods.mod ewalds.mod spme.mod manybody_potential.mod cp_output_handling.mod base_hooks.mod fist_nonbond_force.mod fist_efield_methods.mod cp_log_handling.mod input_constants.mod fist_neighbor_list_control.mod pme.mod cp_units.mod manybody_eam.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_chebyshev.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod machine.mod dm_ls_scf_qs.mod arnoldi_api.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F dm_ls_chebyshev.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_chebyshev.F90 +/build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F:119:69: + + 119 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: aitchev_T, E_inte, gdensity, sqrt_vec + | ^ +Warning: 'aitchev_t.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F:119:69: Warning: 'aitchev_t.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F:355:72: + + 355 | chev_Es_dos(igrid) = (chev_E(igrid) - interval_b)/interval_a + | ^ +Warning: 'interval_b' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F:355:72: Warning: 'interval_a' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_chebyshev.mod' due to: dm_ls_chebyshev.o /build/reproducible-path/cp2k-8.1/src/dm_ls_chebyshev.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod machine.mod dm_ls_scf_qs.mod arnoldi_api.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_force.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod fist_energy_types.mod fist_environment_types.mod particle_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod cell_types.mod cp_result_types.mod cp_subsys_types.mod qmmm_types.mod kinds.mod qmmm_gpw_forces.mod qmmm_gpw_energy.mod cp_output_handling.mod qmmm_links_methods.mod base_hooks.mod qmmm_util.mod physcon.mod cp_log_handling.mod cp_result_methods.mod qs_force.mod qs_ks_qmmm_methods.mod fist_force.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_force.F qmmm_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmm_force.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_force.mod' due to: qmmm_force.o /build/reproducible-path/cp2k-8.1/src/qmmm_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod fist_energy_types.mod fist_environment_types.mod particle_types.mod qs_environment_types.mod qmmm_types_low.mod input_section_types.mod cell_types.mod cp_result_types.mod cp_subsys_types.mod qmmm_types.mod kinds.mod qmmm_gpw_forces.mod qmmm_gpw_energy.mod cp_output_handling.mod qmmm_links_methods.mod base_hooks.mod qmmm_util.mod physcon.mod cp_log_handling.mod cp_result_methods.mod qs_force.mod qs_ks_qmmm_methods.mod fist_force.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dm_ls_scf.o' due to: /build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod transport_env_types.mod qs_diis_types.mod molecule_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod cp_log_handling.mod pao_main.mod dm_ls_scf_methods.mod qs_scf_post_gpw.mod mathlib.mod bibliography.mod machine.mod dm_ls_scf_curvy.mod qs_scf_post_tb.mod kinds.mod base_hooks.mod dm_ls_chebyshev.mod dm_ls_scf_qs.mod pexsi_methods.mod cp_external_control.mod arnoldi_api.mod iterate_matrix.mod input_constants.mod qs_diis.mod transport.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F dm_ls_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf.F90 +/build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F:631:63: + + 631 | extra_scf = maxscf_reached .OR. scf_converged + | ^ +Warning: 'scf_converged' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F:631:63: Warning: 'maxscf_reached' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dm_ls_scf.mod' due to: dm_ls_scf.o /build/reproducible-path/cp2k-8.1/src/dm_ls_scf.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod transport_env_types.mod qs_diis_types.mod molecule_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod cp_log_handling.mod pao_main.mod dm_ls_scf_methods.mod qs_scf_post_gpw.mod mathlib.mod bibliography.mod machine.mod dm_ls_scf_curvy.mod qs_scf_post_tb.mod kinds.mod base_hooks.mod dm_ls_chebyshev.mod dm_ls_scf_qs.mod pexsi_methods.mod cp_external_control.mod arnoldi_api.mod iterate_matrix.mod input_constants.mod qs_diis.mod transport.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'beta_gamma_psi.o' due to: /build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F beta_gamma_psi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' beta_gamma_psi.F90 -/build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F:2275:2: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_energy.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_energy.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_environment_types.mod qs_energy_types.mod qs_energy_utils.mod almo_scf.mod qs_scf.mod energy_corrections.mod qs_energy_init.mod base_hooks.mod lri_environment_methods.mod qs_environment_methods.mod dm_ls_scf.mod qs_ks_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_energy.F qs_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_energy.mod' due to: qs_energy.o /build/reproducible-path/cp2k-8.1/src/qs_energy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_environment_types.mod qs_energy_types.mod qs_energy_utils.mod almo_scf.mod qs_scf.mod energy_corrections.mod qs_energy_init.mod base_hooks.mod lri_environment_methods.mod qs_environment_methods.mod dm_ls_scf.mod qs_ks_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation_forces.o' due to: /build/reproducible-path/cp2k-8.1/src/rt_propagation_forces.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod rt_propagation_types.mod qs_force_types.mod qs_ks_types.mod cp_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_vect.mod cp_dbcsr_cp2k_link.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_overlap.mod base_hooks.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/rt_propagation_forces.F rt_propagation_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation_forces.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation_forces.mod' due to: rt_propagation_forces.o /build/reproducible-path/cp2k-8.1/src/rt_propagation_forces.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod rt_propagation_types.mod qs_force_types.mod qs_ks_types.mod cp_control_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_vect.mod cp_dbcsr_cp2k_link.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_overlap.mod base_hooks.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_force.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod qs_force_types.mod cp_para_types.mod qs_subsys_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod lri_environment_types.mod qs_environment_types.mod admm_methods.mod energy_corrections.mod cp_log_handling.mod qs_core_energies.mod xtb_matrices.mod qs_environment_methods.mod qs_dftb_matrices.mod se_core_core.mod message_passing.mod se_core_matrix.mod cp_dbcsr_output.mod ri_environment_methods.mod qs_scf_post_scf.mod mulliken.mod cp_output_handling.mod qs_dftb_dispersion.mod qs_rho_methods.mod qs_external_potential.mod qs_core_hamiltonian.mod kinds.mod base_hooks.mod qs_energy.mod qs_ks_methods.mod rt_propagation_forces.mod cp_dbcsr_operations.mod input_constants.mod efield_utils.mod dft_plus_u.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_force.F qs_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_force.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_force.mod' due to: qs_force.o /build/reproducible-path/cp2k-8.1/src/qs_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod qs_force_types.mod cp_para_types.mod qs_subsys_types.mod virial_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod lri_environment_types.mod qs_environment_types.mod admm_methods.mod energy_corrections.mod cp_log_handling.mod qs_core_energies.mod xtb_matrices.mod qs_environment_methods.mod qs_dftb_matrices.mod se_core_core.mod message_passing.mod se_core_matrix.mod cp_dbcsr_output.mod ri_environment_methods.mod qs_scf_post_scf.mod mulliken.mod cp_output_handling.mod qs_dftb_dispersion.mod qs_rho_methods.mod qs_external_potential.mod qs_core_hamiltonian.mod kinds.mod base_hooks.mod qs_energy.mod qs_ks_methods.mod rt_propagation_forces.mod cp_dbcsr_operations.mod input_constants.mod efield_utils.mod dft_plus_u.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'restraint.o' due to: /build/reproducible-path/cp2k-8.1/src/restraint.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod molecule_list_types.mod particle_list_types.mod particle_types.mod cell_types.mod force_env_types.mod cp_subsys_types.mod molecule_kind_types.mod colvar_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod constraint_fxd.mod colvar_methods.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/restraint.F restraint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' restraint.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'restraint.mod' due to: restraint.o /build/reproducible-path/cp2k-8.1/src/restraint.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod molecule_list_types.mod particle_list_types.mod particle_types.mod cell_types.mod force_env_types.mod cp_subsys_types.mod molecule_kind_types.mod colvar_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod constraint_fxd.mod colvar_methods.mod message_passing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eip_silicon.o' due to: /build/reproducible-path/cp2k-8.1/src/eip_silicon.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod atomic_kind_list_types.mod cp_para_types.mod eip_environment_types.mod particle_types.mod cell_types.mod cp_subsys_types.mod distribution_1d_types.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eip_silicon.F eip_silicon.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eip_silicon.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eip_silicon.mod' due to: eip_silicon.o /build/reproducible-path/cp2k-8.1/src/eip_silicon.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod atomic_kind_list_types.mod cp_para_types.mod eip_environment_types.mod particle_types.mod cell_types.mod cp_subsys_types.mod distribution_1d_types.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod physcon.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'sirius_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/sirius_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod particle_types.mod pwdft_environment_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod atom_types.mod cell_types.mod cp_log_handling.mod atom_utils.mod atom_upf.mod qs_grid_atom.mod cp_output_handling.mod atom_kind_orbitals.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/sirius_interface.F sirius_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' sirius_interface.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'sirius_interface.mod' due to: sirius_interface.o /build/reproducible-path/cp2k-8.1/src/sirius_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod external_potential_types.mod particle_types.mod pwdft_environment_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod atom_types.mod cell_types.mod cp_log_handling.mod atom_utils.mod atom_upf.mod qs_grid_atom.mod cp_output_handling.mod atom_kind_orbitals.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pwdft_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/pwdft_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod molecule_kind_types.mod pwdft_environment_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod cell_types.mod header.mod cp_log_handling.mod cp_symmetry.mod distribution_methods.mod particle_methods.mod machine.mod kinds.mod base_hooks.mod sirius_interface.mod qs_subsys_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pwdft_environment.F pwdft_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pwdft_environment.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pwdft_environment.mod' due to: pwdft_environment.o /build/reproducible-path/cp2k-8.1/src/pwdft_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod molecule_kind_types.mod pwdft_environment_types.mod molecule_types.mod cp_para_types.mod qs_kind_types.mod qs_subsys_types.mod virial_types.mod distribution_1d_types.mod qs_energy_types.mod cell_types.mod header.mod cp_log_handling.mod cp_symmetry.mod distribution_methods.mod particle_methods.mod machine.mod kinds.mod base_hooks.mod sirius_interface.mod qs_subsys_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_util.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod virial_types.mod particle_types.mod cell_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod mathlib.mod colvar_methods.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_util.F constraint_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_util.mod' due to: constraint_util.o /build/reproducible-path/cp2k-8.1/src/constraint_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod virial_types.mod particle_types.mod cell_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod mathlib.mod colvar_methods.mod message_passing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_3x3.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_3x3.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod particle_types.mod molecule_kind_types.mod kinds.mod base_hooks.mod constraint_fxd.mod mathlib.mod linear_systems.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_3x3.F constraint_3x3.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_3x3.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_3x3.mod' due to: constraint_3x3.o /build/reproducible-path/cp2k-8.1/src/constraint_3x3.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod particle_types.mod molecule_kind_types.mod kinds.mod base_hooks.mod constraint_fxd.mod mathlib.mod linear_systems.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_4x6.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_4x6.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod particle_types.mod molecule_kind_types.mod kinds.mod base_hooks.mod constraint_fxd.mod mathlib.mod linear_systems.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_4x6.F constraint_4x6.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_4x6.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_4x6.mod' due to: constraint_4x6.o /build/reproducible-path/cp2k-8.1/src/constraint_4x6.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod particle_types.mod molecule_kind_types.mod kinds.mod base_hooks.mod constraint_fxd.mod mathlib.mod linear_systems.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_clv.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_clv.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod particle_types.mod cell_types.mod molecule_kind_types.mod colvar_types.mod kinds.mod base_hooks.mod mathlib.mod colvar_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_clv.F constraint_clv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:45:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_clv.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_clv.mod' due to: constraint_clv.o /build/reproducible-path/cp2k-8.1/src/constraint_clv.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod particle_types.mod cell_types.mod molecule_kind_types.mod colvar_types.mod kinds.mod base_hooks.mod mathlib.mod colvar_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_vsite.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_vsite.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod molecule_list_types.mod particle_list_types.mod particle_types.mod force_env_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_vsite.F constraint_vsite.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_vsite.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_vsite.mod' due to: constraint_vsite.o /build/reproducible-path/cp2k-8.1/src/constraint_vsite.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod molecule_list_types.mod particle_list_types.mod particle_types.mod force_env_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod molecule_types.mod cp_para_types.mod distribution_1d_types.mod cell_types.mod cp_log_handling.mod constraint_util.mod message_passing.mod constraint_3x3.mod constraint_4x6.mod memory_utilities.mod kinds.mod base_hooks.mod constraint_clv.mod input_constants.mod constraint_vsite.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint.F constraint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint.mod' due to: constraint.o /build/reproducible-path/cp2k-8.1/src/constraint.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod molecule_types.mod cp_para_types.mod distribution_1d_types.mod cell_types.mod cp_log_handling.mod constraint_util.mod message_passing.mod constraint_3x3.mod constraint_4x6.mod memory_utilities.mod kinds.mod base_hooks.mod constraint_clv.mod input_constants.mod constraint_vsite.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_env_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/force_env_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_list_types.mod molecule_types.mod atomic_kind_list_types.mod molecule_list_types.mod particle_list_types.mod particle_types.mod cell_types.mod force_env_types.mod cp_subsys_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod constraint_util.mod constraint.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_env_utils.F force_env_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_env_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_env_utils.mod' due to: force_env_utils.o /build/reproducible-path/cp2k-8.1/src/force_env_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_list_types.mod molecule_types.mod atomic_kind_list_types.mod molecule_list_types.mod particle_list_types.mod particle_types.mod cell_types.mod force_env_types.mod cp_subsys_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod constraint_util.mod constraint.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'grrm_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/grrm_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_environment_types.mod particle_types.mod force_env_types.mod qs_energy_types.mod kinds.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/grrm_utils.F grrm_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' grrm_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'grrm_utils.mod' due to: grrm_utils.o /build/reproducible-path/cp2k-8.1/src/grrm_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_environment_types.mod particle_types.mod force_env_types.mod qs_energy_types.mod kinds.mod base_hooks.mod physcon.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mm_collocate_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/mm_collocate_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cell_types.mod cube_utils.mod kinds.mod base_hooks.mod ao_util.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mm_collocate_potential.F mm_collocate_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mm_collocate_potential.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mm_collocate_potential.mod' due to: mm_collocate_potential.o /build/reproducible-path/cp2k-8.1/src/mm_collocate_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_types.mod cell_types.mod cube_utils.mod kinds.mod base_hooks.mod ao_util.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_se_energy.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_se_energy.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qmmm_types_low.mod particle_types.mod semi_empirical_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod multipole_types.mod qs_ks_qmmm_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_dbcsr_output.mod semi_empirical_utils.mod qs_neighbor_lists.mod semi_empirical_integrals.mod cp_output_handling.mod qs_overlap.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod qmmm_util.mod cp_dbcsr_operations.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_se_energy.F qmmm_se_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_se_energy.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_se_energy.mod' due to: qmmm_se_energy.o /build/reproducible-path/cp2k-8.1/src/qmmm_se_energy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qmmm_types_low.mod particle_types.mod semi_empirical_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod multipole_types.mod qs_ks_qmmm_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_log_handling.mod message_passing.mod cp_dbcsr_output.mod semi_empirical_utils.mod qs_neighbor_lists.mod semi_empirical_integrals.mod cp_output_handling.mod qs_overlap.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod qmmm_util.mod cp_dbcsr_operations.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_tb_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod ewald_environment_types.mod qmmm_types_low.mod particle_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod qs_ks_types.mod xtb_types.mod cp_control_types.mod qs_rho_types.mod qs_ks_qmmm_types.mod cell_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_dftb_matrices.mod message_passing.mod spme.mod qs_neighbor_lists.mod mulliken.mod qs_dftb_utils.mod qs_overlap.mod kinds.mod base_hooks.mod qs_dftb_coulomb.mod qmmm_util.mod cp_dbcsr_operations.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F qmmm_tb_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_tb_methods.F90 +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:1395:37: - 2275 | 20 f = a*rlog1(-lambda/a) + b*rlog1(lambda/b) - | 1 -Warning: Label 20 at (1) defined but not used [-Wunused-label] -/build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F:153:3: + 1395 | force_ab = -fsr*rij/dr + | ^ +Warning: 'fsr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:895:13: - 153 | FUNCTION epsln() RESULT(fn_val) - | ^ -Warning: 'epsln' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F:173:3: + 895 | IF (do_dftb) THEN + | ^ +Warning: 'do_dftb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:897:17: - 173 | FUNCTION exparg(l) RESULT(fn_val) - | ^ -Warning: 'exparg' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F:202:3: + 897 | ELSEIF (do_xtb) THEN + | ^ +Warning: 'do_xtb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:652:13: - 202 | FUNCTION depsln() RESULT(fn_val) - | ^ -Warning: 'depsln' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F:1353:20: + 652 | IF (do_dftb) THEN + | ^ +Warning: 'do_dftb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:654:17: - 1353 | SUBROUTINE bratio(a, b, x, y, w, w1, ierr) - | ^ -Warning: 'bratio' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'beta_gamma_psi.mod' due to: beta_gamma_psi.o /build/reproducible-path/cp2k-8.1/src/beta_gamma_psi.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fp_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/fp_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod particle_list_types.mod particle_types.mod cell_types.mod fp_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod beta_gamma_psi.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fp_methods.F fp_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fp_methods.F90 -/build/reproducible-path/cp2k-8.1/src/fp_methods.F:197:72: + 654 | ELSEIF (do_xtb) THEN + | ^ +Warning: 'do_xtb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:377:10: - 197 | tmpstr = cp_iter_string(logger%iter_info, fp_env%print_section) - | 1 -Warning: CHARACTER expression will be truncated in assignment (15/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/src/fp_methods.F:183:53: + 377 | IF (do_dftb) THEN + | ^ +Warning: 'do_dftb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:379:14: - 183 | fp_env%bias_weight = EXP(fp_env%bias_energy/kT) - | ^ -Warning: 'kt' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fp_methods.mod' due to: fp_methods.o /build/reproducible-path/cp2k-8.1/src/fp_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod particle_list_types.mod particle_types.mod cell_types.mod fp_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod beta_gamma_psi.mod base_hooks.mod mathconstants.mod + 379 | ELSEIF (do_xtb) THEN + | ^ +Warning: 'do_xtb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:277:10: + + 277 | IF (do_dftb) THEN + | ^ +Warning: 'do_dftb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:279:14: + + 279 | ELSEIF (do_xtb) THEN + | ^ +Warning: 'do_xtb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:161:10: + + 161 | IF (do_dftb) THEN + | ^ +Warning: 'do_dftb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F:163:14: + + 163 | ELSEIF (do_xtb) THEN + | ^ +Warning: 'do_xtb' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_tb_methods.mod' due to: qmmm_tb_methods.o /build/reproducible-path/cp2k-8.1/src/qmmm_tb_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod pw_poisson_types.mod ewald_environment_types.mod qmmm_types_low.mod particle_types.mod cp_para_types.mod qs_kind_types.mod ewald_pw_types.mod qs_ks_types.mod xtb_types.mod cp_control_types.mod qs_rho_types.mod qs_ks_qmmm_types.mod cell_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_environment_types.mod qs_dftb_matrices.mod message_passing.mod spme.mod qs_neighbor_lists.mod mulliken.mod qs_dftb_utils.mod qs_overlap.mod kinds.mod base_hooks.mod qs_dftb_coulomb.mod qmmm_util.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_dmfet_potential.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_dmfet_potential.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod embed_types.mod cp_gemm_interface.mod kinds.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_dmfet_potential.F optimize_dmfet_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' optimize_dmfet_potential.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_dmfet_potential.mod' due to: optimize_dmfet_potential.o /build/reproducible-path/cp2k-8.1/src/optimize_dmfet_potential.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod embed_types.mod cp_gemm_interface.mod kinds.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_fm_struct.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gpw_energy.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_energy.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod qs_subsys_types.mod qmmm_gaussian_types.mod cp_control_types.mod particle_list_types.mod qs_ks_qmmm_types.mod cell_types.mod cp_log_handling.mod message_passing.mod cp_realspace_grid_cube.mod mm_collocate_potential.mod pw_methods.mod cp_output_handling.mod cube_utils.mod kinds.mod base_hooks.mod qmmm_se_energy.mod qmmm_util.mod cp_spline_utils.mod input_constants.mod qmmm_tb_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gpw_energy.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gpw_energy.mod' due to: qmmm_gpw_energy.o /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_energy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod qs_subsys_types.mod qmmm_gaussian_types.mod cp_control_types.mod particle_list_types.mod qs_ks_qmmm_types.mod cell_types.mod cp_log_handling.mod message_passing.mod cp_realspace_grid_cube.mod mm_collocate_potential.mod pw_methods.mod cp_output_handling.mod cube_utils.mod kinds.mod base_hooks.mod qmmm_se_energy.mod qmmm_util.mod cp_spline_utils.mod input_constants.mod qmmm_tb_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_vsite.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_vsite.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod particle_list_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod distribution_1d_types.mod force_env_types.mod molecule_list_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_vsite.F constraint_vsite.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' constraint_vsite.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_vsite.mod' due to: constraint_vsite.o /build/reproducible-path/cp2k-8.1/src/constraint_vsite.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod particle_list_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod distribution_1d_types.mod force_env_types.mod molecule_list_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_se_forces.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_se_forces.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qmmm_types_low.mod particle_types.mod semi_empirical_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod multipole_types.mod qs_ks_qmmm_types.mod cell_types.mod qs_environment_types.mod message_passing.mod semi_empirical_utils.mod semi_empirical_integrals.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod qmmm_util.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_se_forces.F qmmm_se_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_se_forces.F90 +/build/reproducible-path/cp2k-8.1/src/qmmm_se_forces.F:209:17: + + 209 | CPASSERT(iqm == number_qm_atoms) + | ^ +Warning: 'iqm' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_se_forces.mod' due to: qmmm_se_forces.o /build/reproducible-path/cp2k-8.1/src/qmmm_se_forces.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qmmm_types_low.mod particle_types.mod semi_empirical_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_types.mod multipole_types.mod qs_ks_qmmm_types.mod cell_types.mod qs_environment_types.mod message_passing.mod semi_empirical_utils.mod semi_empirical_integrals.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod qmmm_util.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'scine_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/scine_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod particle_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod force_env_types.mod kinds.mod base_hooks.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/scine_utils.F scine_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' scine_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'scine_utils.mod' due to: scine_utils.o /build/reproducible-path/cp2k-8.1/src/scine_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod particle_types.mod cp_control_types.mod cell_types.mod qs_environment_types.mod force_env_types.mod kinds.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_gpw_forces.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod qs_energy_types.mod qmmm_gaussian_types.mod cp_control_types.mod qs_rho_types.mod qs_ks_qmmm_types.mod cell_types.mod cp_log_handling.mod qmmm_gpw_energy.mod message_passing.mod pw_methods.mod mm_collocate_potential.mod qmmm_se_forces.mod cp_output_handling.mod cube_utils.mod kinds.mod base_hooks.mod qmmm_util.mod cp_spline_utils.mod input_constants.mod qmmm_tb_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gpw_forces.F90 +/build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: + + 484 | tmp = rho%cr3d(lb(1), :, :) + | ^ +Warning: 'tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: Warning: 'tmp.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: Warning: 'tmp.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: + + 484 | tmp = rho%cr3d(lb(1), :, :) + | ^ +Warning: 'tmp.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_gpw_forces.mod' due to: qmmm_gpw_forces.o /build/reproducible-path/cp2k-8.1/src/qmmm_gpw_forces.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod qs_energy_types.mod qmmm_gaussian_types.mod cp_control_types.mod qs_rho_types.mod qs_ks_qmmm_types.mod cell_types.mod cp_log_handling.mod qmmm_gpw_energy.mod message_passing.mod pw_methods.mod mm_collocate_potential.mod qmmm_se_forces.mod cp_output_handling.mod cube_utils.mod kinds.mod base_hooks.mod qmmm_util.mod cp_spline_utils.mod input_constants.mod qmmm_tb_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'restraint.o' due to: /build/reproducible-path/cp2k-8.1/src/restraint.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod particle_list_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod colvar_types.mod cell_types.mod distribution_1d_types.mod force_env_types.mod molecule_list_types.mod molecule_kind_list_types.mod colvar_methods.mod kinds.mod message_passing.mod base_hooks.mod constraint_fxd.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/restraint.F restraint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' restraint.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'restraint.mod' due to: restraint.o /build/reproducible-path/cp2k-8.1/src/restraint.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod particle_list_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod colvar_types.mod cell_types.mod distribution_1d_types.mod force_env_types.mod molecule_list_types.mod molecule_kind_list_types.mod colvar_methods.mod kinds.mod message_passing.mod base_hooks.mod constraint_fxd.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmm_force.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmm_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_environment_types.mod qmmm_types.mod qmmm_types_low.mod particle_types.mod cp_result_types.mod fist_energy_types.mod qs_energy_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod cp_log_handling.mod qmmm_gpw_energy.mod fist_force.mod qmmm_links_methods.mod qs_force.mod cp_output_handling.mod kinds.mod base_hooks.mod qmmm_gpw_forces.mod physcon.mod cp_result_methods.mod qmmm_util.mod qs_ks_qmmm_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmm_force.F qmmm_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_force.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmm_force.mod' due to: qmmm_force.o /build/reproducible-path/cp2k-8.1/src/qmmm_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod fist_environment_types.mod qmmm_types.mod qmmm_types_low.mod particle_types.mod cp_result_types.mod fist_energy_types.mod qs_energy_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod cp_log_handling.mod qmmm_gpw_energy.mod fist_force.mod qmmm_links_methods.mod qs_force.mod cp_output_handling.mod kinds.mod base_hooks.mod qmmm_gpw_forces.mod physcon.mod cp_result_methods.mod qmmm_util.mod qs_ks_qmmm_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmmx_force.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmmx_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod qmmm_types.mod fist_environment_types.mod qmmmx_types.mod particle_types.mod cell_types.mod qs_environment_types.mod qmmm_types_low.mod kinds.mod qmmmx_util.mod base_hooks.mod input_constants.mod qmmm_util.mod qmmm_force.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmmx_force.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmmx_force.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod fist_environment_types.mod particle_types.mod qmmmx_types.mod cell_types.mod qmmm_types.mod cp_subsys_types.mod qs_environment_types.mod qmmmx_util.mod qmmm_force.mod kinds.mod base_hooks.mod input_constants.mod qmmm_util.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmmx_force.F qmmmx_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:55 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmmx_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmmx_force.F90 /build/reproducible-path/cp2k-8.1/src/qmmmx_force.F:134:70: 134 | mom_conserv_n = COUNT(cur_labels >= mom_conserv_min_label) | ^ Warning: 'mom_conserv_min_label' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmmx_force.mod' due to: qmmmx_force.o /build/reproducible-path/cp2k-8.1/src/qmmmx_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod qmmm_types.mod fist_environment_types.mod qmmmx_types.mod particle_types.mod cell_types.mod qs_environment_types.mod qmmm_types_low.mod kinds.mod qmmmx_util.mod base_hooks.mod input_constants.mod qmmm_util.mod qmmm_force.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eip_silicon.o' due to: /build/reproducible-path/cp2k-8.1/src/eip_silicon.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod cp_para_types.mod atomic_kind_list_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod eip_environment_types.mod kinds.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eip_silicon.F eip_silicon.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:40:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eip_silicon.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eip_silicon.mod' due to: eip_silicon.o /build/reproducible-path/cp2k-8.1/src/eip_silicon.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod cp_para_types.mod atomic_kind_list_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod eip_environment_types.mod kinds.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_3x3.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_3x3.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_types.mod particle_types.mod molecule_types.mod kinds.mod linear_systems.mod base_hooks.mod constraint_fxd.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_3x3.F constraint_3x3.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' constraint_3x3.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_3x3.mod' due to: constraint_3x3.o /build/reproducible-path/cp2k-8.1/src/constraint_3x3.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_types.mod particle_types.mod molecule_types.mod kinds.mod linear_systems.mod base_hooks.mod constraint_fxd.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_util.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 virial_types.mod molecule_kind_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod molecule_types.mod colvar_methods.mod kinds.mod message_passing.mod base_hooks.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_util.F constraint_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' constraint_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_util.mod' due to: constraint_util.o /build/reproducible-path/cp2k-8.1/src/constraint_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 virial_types.mod molecule_kind_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod molecule_types.mod colvar_methods.mod kinds.mod message_passing.mod base_hooks.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_clv.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_clv.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_types.mod particle_types.mod colvar_types.mod cell_types.mod molecule_types.mod colvar_methods.mod kinds.mod base_hooks.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_clv.F constraint_clv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' constraint_clv.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_clv.mod' due to: constraint_clv.o /build/reproducible-path/cp2k-8.1/src/constraint_clv.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_types.mod particle_types.mod colvar_types.mod cell_types.mod molecule_types.mod colvar_methods.mod kinds.mod base_hooks.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint_4x6.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint_4x6.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_types.mod particle_types.mod molecule_types.mod kinds.mod linear_systems.mod base_hooks.mod constraint_fxd.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint_4x6.F constraint_4x6.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' constraint_4x6.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint_4x6.mod' due to: constraint_4x6.o /build/reproducible-path/cp2k-8.1/src/constraint_4x6.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_types.mod particle_types.mod molecule_types.mod kinds.mod linear_systems.mod base_hooks.mod constraint_fxd.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmmx_force.mod' due to: qmmmx_force.o /build/reproducible-path/cp2k-8.1/src/qmmmx_force.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod fist_environment_types.mod particle_types.mod qmmmx_types.mod cell_types.mod qmmm_types.mod cp_subsys_types.mod qs_environment_types.mod qmmmx_util.mod qmmm_force.mod kinds.mod base_hooks.mod input_constants.mod qmmm_util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'constraint.o' due to: /build/reproducible-path/cp2k-8.1/src/constraint.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod colvar_types.mod distribution_1d_types.mod particle_types.mod input_section_types.mod molecule_kind_types.mod simpar_types.mod cell_types.mod molecule_types.mod cp_para_types.mod kinds.mod message_passing.mod constraint_3x3.mod constraint_util.mod base_hooks.mod cp_log_handling.mod memory_utilities.mod constraint_vsite.mod input_constants.mod constraint_clv.mod constraint_4x6.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/constraint.F constraint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' constraint.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'constraint.mod' due to: constraint.o /build/reproducible-path/cp2k-8.1/src/constraint.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod colvar_types.mod distribution_1d_types.mod particle_types.mod input_section_types.mod molecule_kind_types.mod simpar_types.mod cell_types.mod molecule_types.mod cp_para_types.mod kinds.mod message_passing.mod constraint_3x3.mod constraint_util.mod base_hooks.mod cp_log_handling.mod memory_utilities.mod constraint_vsite.mod input_constants.mod constraint_clv.mod constraint_4x6.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_cdft_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod mixed_cdft_types.mod hirshfeld_types.mod cp_fm_types.mod pw_pool_types.mod pw_env_types.mod realspace_grid_types.mod pw_grid_types.mod qs_kind_types.mod cp_control_types.mod qs_cdft_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod mixed_environment_types.mod pw_grids.mod cp_log_handling.mod message_passing.mod pw_env_methods.mod cp_blacs_env.mod cp_output_handling.mod cube_utils.mod cp_fm_struct.mod kinds.mod d3_poly.mod base_hooks.mod cp_files.mod cp_dbcsr_operations.mod cp_realspace_grid_init.mod gaussian_gridlevels.mod input_constants.mod cp_array_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F mixed_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_cdft_utils.F90 +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:981:69: + + 981 | mixed_cdft%sub_logger(i)%p%iter_info%project_name = c_val + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1567:42: + + 1567 | nzeroed = nzeroed + 1 + | ^ +Warning: 'nzeroed' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1058:92: + + 1058 | TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: matrix_p_tmp, mixed_matrix_p_tmp, & + | ^ +Warning: 'mixed_matrix_p_tmp.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1058:92: Warning: 'mixed_matrix_p_tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1056:69: + + 1056 | TYPE(cp_1d_r_p_type), ALLOCATABLE, DIMENSION(:, :) :: occno_tmp + | ^ +Warning: 'occno_tmp.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1056:69: Warning: 'occno_tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1058:72: + + 1058 | TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: matrix_p_tmp, mixed_matrix_p_tmp, & + | ^ +Warning: 'matrix_p_tmp.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1058:72: Warning: 'matrix_p_tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1064:74: + + 1064 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, w_matrix + | ^ +Warning: 'density_matrix.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F:1064:74: Warning: 'density_matrix.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_cdft_utils.mod' due to: mixed_cdft_utils.o /build/reproducible-path/cp2k-8.1/src/mixed_cdft_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod mixed_cdft_types.mod hirshfeld_types.mod cp_fm_types.mod pw_pool_types.mod pw_env_types.mod realspace_grid_types.mod pw_grid_types.mod qs_kind_types.mod cp_control_types.mod qs_cdft_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod mixed_environment_types.mod pw_grids.mod cp_log_handling.mod message_passing.mod pw_env_methods.mod cp_blacs_env.mod cp_output_handling.mod cube_utils.mod cp_fm_struct.mod kinds.mod d3_poly.mod base_hooks.mod cp_files.mod cp_dbcsr_operations.mod cp_realspace_grid_init.mod gaussian_gridlevels.mod input_constants.mod cp_array_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_env_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/force_env_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod molecule_types.mod particle_types.mod atomic_kind_list_types.mod cell_types.mod distribution_1d_types.mod molecule_list_types.mod force_env_types.mod molecule_kind_list_types.mod kinds.mod constraint.mod base_hooks.mod constraint_util.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_env_utils.F force_env_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' force_env_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_env_utils.mod' due to: force_env_utils.o /build/reproducible-path/cp2k-8.1/src/force_env_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod molecule_types.mod particle_types.mod atomic_kind_list_types.mod cell_types.mod distribution_1d_types.mod molecule_list_types.mod force_env_types.mod molecule_kind_list_types.mod kinds.mod constraint.mod base_hooks.mod constraint_util.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_cdft_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod mixed_cdft_types.mod hirshfeld_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod qs_kind_types.mod qs_energy_types.mod cp_control_types.mod qs_cdft_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod mixed_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod ao_util.mod grid_api.mod cp_dbcsr_diag.mod message_passing.mod util.mod cp_units.mod cp_realspace_grid_cube.mod mathlib.mod pw_methods.mod cp_output_handling.mod machine.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod qs_mo_methods.mod hirshfeld_methods.mod cp_dbcsr_operations.mod input_constants.mod cp_array_utils.mod mixed_cdft_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_cdft_methods.F90 +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1188:95: + + 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & + | ^ +Warning: 'density_matrix_diff.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2034:40: + + 2034 | metric(:, :) = metric(:, :)/4.0_dp + | ^ +Warning: 'density_matrix_diff.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1188:95: + + 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & + | ^ +note: 'density_matrix_diff.dim[1].ubound' was declared here +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1188:95: Warning: 'density_matrix_diff.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1171:64: + + 1171 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: homo + | ^ +Warning: 'homo.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1171:64: Warning: 'homo.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1188:74: + + 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & + | ^ +Warning: 'density_matrix.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1509:84: + + 1509 | density_matrix(jstate, ispin)%matrix, -1.0_dp, 1.0_dp) + | ^ +Warning: 'density_matrix.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:1188:74: + + 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & + | ^ +Warning: 'density_matrix.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2764:69: + + 2764 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched + | ^ +Warning: 'mask_recv.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2764:80: + + 2764 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched + | ^ +Warning: 'mask_send.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3401:97: + + 3401 | ALLOCATE (req_total(COUNT(mixed_cdft%dlb_control%recv_work_repl) + 2*COUNT(touched))) + | ^ +Warning: 'touched.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2764:89: + + 2764 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched + | ^ +note: 'touched.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2830:93: + + 2830 | REAL(bo(2, 1) - bo(1, 1) + 1, dp)) + | ^ +Warning: 'my_work_size' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:2309:44: + + 2309 | jatom, katom, my_work, my_work_size, natom, nforce_eval, nkind, np(3), npme, nthread, & + | ^ +note: 'my_work_size' was declared here +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3877:61: + + 3877 | DO i = LBOUND(weight, 3), UBOUND(weight, 3) + | ^ +Warning: 'weight.dim[2].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: + + 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight + | ^ +note: 'weight.dim[2].lbound' was declared here +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3877:61: + + 3877 | DO i = LBOUND(weight, 3), UBOUND(weight, 3) + | ^ +Warning: 'weight.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: + + 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight + | ^ +note: 'weight.dim[2].stride' was declared here +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3829:58: + + 3829 | DO j = LBOUND(weight, 2), UBOUND(weight, 2) + | ^ +Warning: 'weight.dim[1].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: + + 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight + | ^ +note: 'weight.dim[1].lbound' was declared here +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3829:58: + + 3829 | DO j = LBOUND(weight, 2), UBOUND(weight, 2) + | ^ +Warning: 'weight.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: + + 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight + | ^ +note: 'weight.dim[1].stride' was declared here +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: 'weight.dim[0].lbound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: 'weight.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: 'weight.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: + + 3555 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: gradients + | ^ +Warning: 'gradients.dim[3].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: 'gradients.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: 'gradients.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: 'gradients.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: 'gradients.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: + + 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight + | ^ +Warning: 'cavity.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: Warning: 'cavity.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: Warning: 'cavity.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: Warning: 'cavity.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3549:68: + + 3549 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj + | ^ +Warning: 'dp_i_drj.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3549:68: Warning: 'dp_i_drj.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3548:83: + + 3548 | distance_vecs, dP_i_dRi + | ^ +Warning: 'dp_i_dri.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3547:87: + + 3547 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_const_dR, d_sum_Pm_dR, & + | ^ +Warning: 'd_sum_pm_dr.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F:3547:74: + + 3547 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_const_dR, d_sum_Pm_dR, & + | ^ +Warning: 'd_sum_const_dr.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_cdft_methods.mod' due to: mixed_cdft_methods.o /build/reproducible-path/cp2k-8.1/src/mixed_cdft_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod mixed_cdft_types.mod hirshfeld_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod realspace_grid_types.mod pw_types.mod qs_kind_types.mod qs_energy_types.mod cp_control_types.mod qs_cdft_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod mixed_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod ao_util.mod grid_api.mod cp_dbcsr_diag.mod message_passing.mod util.mod cp_units.mod cp_realspace_grid_cube.mod mathlib.mod pw_methods.mod cp_output_handling.mod machine.mod memory_utilities.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod qs_mo_methods.mod hirshfeld_methods.mod cp_dbcsr_operations.mod input_constants.mod cp_array_utils.mod mixed_cdft_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/force_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod nnp_environment_types.mod mixed_energy_types.mod force_env_types.mod pw_env_types.mod embed_types.mod qs_rho_types.mod fist_environment_types.mod cp_control_types.mod qs_environment_types.mod metadynamics_types.mod cp_iter_types.mod mixed_environment_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod qmmmx_types.mod cp_fm_types.mod cp_result_types.mod global_types.mod cp_subsys_types.mod pw_pool_types.mod qmmm_types.mod virial_types.mod cp_para_types.mod pw_types.mod pwdft_environment_types.mod atprop_types.mod eip_environment_types.mod kinds.mod nnp_force.mod message_passing.mod pwdft_environment.mod string_utilities.mod mixed_cdft_methods.mod mixed_environment_utils.mod external_potential_methods.mod fparser.mod force_fields_util.mod cp_fm_basic_linalg.mod grrm_utils.mod qmmm_force.mod bibliography.mod cp_output_handling.mod virial_methods.mod base_hooks.mod machine.mod optimize_embedding_potential.mod physcon.mod qmmm_util.mod cp_para_env.mod fp_methods.mod cp_log_handling.mod optimize_dmfet_potential.mod pw_methods.mod cp_result_methods.mod constraint_vsite.mod qs_force.mod scine_utils.mod input_constants.mod constraint_fxd.mod restraint.mod qmmmx_force.mod kahan_sum.mod fist_force.mod eip_silicon.mod force_env_utils.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'force_env_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/force_env_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_list_types.mod fist_environment_types.mod qmmm_types.mod cp_fm_types.mod metadynamics_types.mod embed_types.mod eip_environment_types.mod pw_pool_types.mod qmmmx_types.mod pw_env_types.mod nnp_environment_types.mod atprop_types.mod molecule_kind_types.mod cp_result_types.mod pwdft_environment_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod virial_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod global_types.mod cp_iter_types.mod cell_types.mod force_env_types.mod cp_subsys_types.mod mixed_energy_types.mod mixed_environment_types.mod external_potential_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod force_fields_util.mod fparser.mod optimize_dmfet_potential.mod message_passing.mod optimize_embedding_potential.mod scine_utils.mod nnp_force.mod virial_methods.mod fist_force.mod kahan_sum.mod bibliography.mod fp_methods.mod mathlib.mod pw_methods.mod cp_output_handling.mod machine.mod cp_para_env.mod qs_force.mod kinds.mod restraint.mod base_hooks.mod eip_silicon.mod pwdft_environment.mod force_env_utils.mod grrm_utils.mod mixed_environment_utils.mod physcon.mod cp_result_methods.mod qmmm_util.mod qmmmx_force.mod qmmm_force.mod string_utilities.mod mixed_cdft_methods.mod input_constants.mod constraint_fxd.mod constraint_vsite.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/force_env_methods.F force_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' force_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_env_methods.F90 /build/reproducible-path/cp2k-8.1/src/force_env_methods.F:568:101: 568 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: ref_pos_atom, ref_pos_core, ref_pos_shell @@ -47203,653 +47346,533 @@ 1620 | REAL(KIND=dp) :: cluster_energy | ^ note: 'cluster_energy' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_env_methods.mod' due to: force_env_methods.o /build/reproducible-path/cp2k-8.1/src/force_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod nnp_environment_types.mod mixed_energy_types.mod force_env_types.mod pw_env_types.mod embed_types.mod qs_rho_types.mod fist_environment_types.mod cp_control_types.mod qs_environment_types.mod metadynamics_types.mod cp_iter_types.mod mixed_environment_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod qmmmx_types.mod cp_fm_types.mod cp_result_types.mod global_types.mod cp_subsys_types.mod pw_pool_types.mod qmmm_types.mod virial_types.mod cp_para_types.mod pw_types.mod pwdft_environment_types.mod atprop_types.mod eip_environment_types.mod kinds.mod nnp_force.mod message_passing.mod pwdft_environment.mod string_utilities.mod mixed_cdft_methods.mod mixed_environment_utils.mod external_potential_methods.mod fparser.mod force_fields_util.mod cp_fm_basic_linalg.mod grrm_utils.mod qmmm_force.mod bibliography.mod cp_output_handling.mod virial_methods.mod base_hooks.mod machine.mod optimize_embedding_potential.mod physcon.mod qmmm_util.mod cp_para_env.mod fp_methods.mod cp_log_handling.mod optimize_dmfet_potential.mod pw_methods.mod cp_result_methods.mod constraint_vsite.mod qs_force.mod scine_utils.mod input_constants.mod constraint_fxd.mod restraint.mod qmmmx_force.mod kahan_sum.mod fist_force.mod eip_silicon.mod force_env_utils.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'force_env_methods.mod' due to: force_env_methods.o /build/reproducible-path/cp2k-8.1/src/force_env_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_list_types.mod fist_environment_types.mod qmmm_types.mod cp_fm_types.mod metadynamics_types.mod embed_types.mod eip_environment_types.mod pw_pool_types.mod qmmmx_types.mod pw_env_types.mod nnp_environment_types.mod atprop_types.mod molecule_kind_types.mod cp_result_types.mod pwdft_environment_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod virial_types.mod qs_energy_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod global_types.mod cp_iter_types.mod cell_types.mod force_env_types.mod cp_subsys_types.mod mixed_energy_types.mod mixed_environment_types.mod external_potential_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod force_fields_util.mod fparser.mod optimize_dmfet_potential.mod message_passing.mod optimize_embedding_potential.mod scine_utils.mod nnp_force.mod virial_methods.mod fist_force.mod kahan_sum.mod bibliography.mod fp_methods.mod mathlib.mod pw_methods.mod cp_output_handling.mod machine.mod cp_para_env.mod qs_force.mod kinds.mod restraint.mod base_hooks.mod eip_silicon.mod pwdft_environment.mod force_env_utils.mod grrm_utils.mod mixed_environment_utils.mod physcon.mod cp_result_methods.mod qmmm_util.mod qmmmx_force.mod qmmm_force.mod string_utilities.mod mixed_cdft_methods.mod input_constants.mod constraint_fxd.mod constraint_vsite.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_read.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_read.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod input_parsing.mod cp_units.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_read.F input_cp2k_read.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_read.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_read.mod' due to: input_cp2k_read.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_read.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod input_parsing.mod cp_units.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gle_system_dynamics.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod thermostat_types.mod simpar_types.mod gle_system_types.mod molecule_types.mod cp_para_types.mod parallel_rng_types.mod particle_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod thermostat_utils.mod base_hooks.mod input_constants.mod thermostat_mapping.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gle_system_dynamics.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gle_system_dynamics.mod' due to: gle_system_dynamics.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod thermostat_types.mod simpar_types.mod gle_system_types.mod molecule_types.mod cp_para_types.mod parallel_rng_types.mod particle_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod thermostat_utils.mod base_hooks.mod input_constants.mod thermostat_mapping.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_free_energy.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_free_energy.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_free_energy.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_free_energy.mod' due to: input_cp2k_free_energy.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_free_energy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'al_system_dynamics.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod al_system_types.mod molecule_types.mod particle_types.mod force_env_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod thermostat_utils.mod base_hooks.mod constraint_fxd.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' al_system_dynamics.F90 +/build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F:290:46: + + 290 | map_info%v_scale(imap) = 1.0_dp + | ^ +Warning: 'imap' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'al_system_dynamics.mod' due to: al_system_dynamics.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod al_system_types.mod molecule_types.mod particle_types.mod force_env_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod thermostat_utils.mod base_hooks.mod constraint_fxd.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'metadynamics_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/metadynamics_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_enumeration_types.mod input_section_types.mod cp_para_types.mod metadynamics_types.mod force_env_types.mod input_keyword_types.mod kinds.mod cp_files.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod input_cp2k_free_energy.mod base_hooks.mod machine.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/metadynamics_utils.F metadynamics_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' metadynamics_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'metadynamics_utils.mod' due to: metadynamics_utils.o /build/reproducible-path/cp2k-8.1/src/metadynamics_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_enumeration_types.mod input_section_types.mod cp_para_types.mod metadynamics_types.mod force_env_types.mod input_keyword_types.mod kinds.mod cp_files.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod input_cp2k_free_energy.mod base_hooks.mod machine.mod input_constants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'csvr_system_mapping.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 thermostat_types.mod simpar_types.mod molecule_types.mod cp_para_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod csvr_system_types.mod kinds.mod base_hooks.mod input_constants.mod thermostat_mapping.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' csvr_system_mapping.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'csvr_system_mapping.mod' due to: csvr_system_mapping.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 thermostat_types.mod simpar_types.mod molecule_types.mod cp_para_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod csvr_system_types.mod kinds.mod base_hooks.mod input_constants.mod thermostat_mapping.mod message_passing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_main.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod fist_environment_types.mod cp_para_types.mod force_env_types.mod qmmm_types_low.mod global_types.mod fist_environment.mod base_hooks.mod force_env_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_main.F fist_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:55 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' fist_main.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_main.mod' due to: fist_main.o /build/reproducible-path/cp2k-8.1/src/fist_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod fist_environment_types.mod cp_para_types.mod force_env_types.mod qmmm_types_low.mod global_types.mod fist_environment.mod base_hooks.mod force_env_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'csvr_system_init.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod molecule_types.mod cp_para_types.mod parallel_rng_types.mod thermostat_types.mod molecule_kind_types.mod distribution_1d_types.mod csvr_system_types.mod base_hooks.mod csvr_system_mapping.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' csvr_system_init.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'csvr_system_init.mod' due to: csvr_system_init.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod molecule_types.mod cp_para_types.mod parallel_rng_types.mod thermostat_types.mod molecule_kind_types.mod distribution_1d_types.mod csvr_system_types.mod base_hooks.mod csvr_system_mapping.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eip_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/eip_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod molecule_types.mod eip_environment_types.mod kinds.mod particle_methods.mod base_hooks.mod cell_methods.mod distribution_methods.mod cp_subsys_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eip_environment.F eip_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:57 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' eip_environment.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eip_environment.mod' due to: eip_environment.o /build/reproducible-path/cp2k-8.1/src/eip_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod molecule_types.mod eip_environment_types.mod kinds.mod particle_methods.mod base_hooks.mod cell_methods.mod distribution_methods.mod cp_subsys_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'extended_system_dynamics.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod particle_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod shell_potential_types.mod kinds.mod thermostat_utils.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' extended_system_dynamics.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'extended_system_dynamics.mod' due to: extended_system_dynamics.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod particle_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod shell_potential_types.mod kinds.mod thermostat_utils.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'nnp_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/nnp_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod nnp_environment_types.mod distribution_1d_types.mod particle_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod molecule_types.mod cp_subsys_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod distribution_methods.mod cp_subsys_methods.mod bibliography.mod base_hooks.mod particle_methods.mod cp_log_handling.mod cell_methods.mod cp_parser_methods.mod periodic_table.mod nnp_model.mod nnp_acsf.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/nnp_environment.F nnp_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:41:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' nnp_environment.F90 -/build/reproducible-path/cp2k-8.1/src/nnp_environment.F:734:68: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'csvr_system_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/csvr_system_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/csvr_system_utils.F csvr_system_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' csvr_system_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'csvr_system_utils.mod' due to: csvr_system_utils.o /build/reproducible-path/cp2k-8.1/src/csvr_system_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'csvr_system_dynamics.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod parallel_rng_types.mod particle_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod csvr_system_types.mod kinds.mod thermostat_utils.mod base_hooks.mod csvr_system_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' csvr_system_dynamics.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'csvr_system_dynamics.mod' due to: csvr_system_dynamics.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod parallel_rng_types.mod particle_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod csvr_system_types.mod kinds.mod thermostat_utils.mod base_hooks.mod csvr_system_utils.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'al_system_mapping.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_mapping.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 thermostat_types.mod simpar_types.mod al_system_types.mod molecule_types.mod cp_para_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod input_constants.mod thermostat_mapping.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' al_system_mapping.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'al_system_mapping.mod' due to: al_system_mapping.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_mapping.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 thermostat_types.mod simpar_types.mod al_system_types.mod molecule_types.mod cp_para_types.mod extended_system_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod input_constants.mod thermostat_mapping.mod message_passing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'al_system_init.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod al_system_types.mod molecule_types.mod cp_para_types.mod thermostat_types.mod molecule_kind_types.mod distribution_1d_types.mod al_system_mapping.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_init.F al_system_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' al_system_init.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'al_system_init.mod' due to: al_system_init.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod al_system_types.mod molecule_types.mod cp_para_types.mod thermostat_types.mod molecule_kind_types.mod distribution_1d_types.mod al_system_mapping.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermostat_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod atomic_kind_types.mod simpar_types.mod molecule_kind_list_types.mod qmmm_types.mod particle_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod thermostat_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod global_types.mod cell_types.mod force_env_types.mod extended_system_types.mod gle_system_dynamics.mod cp_log_handling.mod al_system_dynamics.mod extended_system_init.mod cp_units.mod csvr_system_init.mod bibliography.mod cp_output_handling.mod kinds.mod base_hooks.mod extended_system_dynamics.mod csvr_system_dynamics.mod thermostat_utils.mod input_constants.mod al_system_init.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermostat_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermostat_methods.mod' due to: thermostat_methods.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod atomic_kind_types.mod simpar_types.mod molecule_kind_list_types.mod qmmm_types.mod particle_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod thermostat_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod global_types.mod cell_types.mod force_env_types.mod extended_system_types.mod gle_system_dynamics.mod cp_log_handling.mod al_system_dynamics.mod extended_system_init.mod cp_units.mod csvr_system_init.mod bibliography.mod cp_output_handling.mod kinds.mod base_hooks.mod extended_system_dynamics.mod csvr_system_dynamics.mod thermostat_utils.mod input_constants.mod al_system_init.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dimer_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/dimer_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_list_types.mod global_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/dimer_types.F dimer_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dimer_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dimer_types.mod' due to: dimer_types.o /build/reproducible-path/cp2k-8.1/src/motion/dimer_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_list_types.mod global_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_global.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_global.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod machine.mod cp_fm_elpa.mod input_constants.mod grid_api.mod cp_dbcsr_cp2k_link.mod bibliography.mod timings.mod cp_blacs_env.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_global.F input_cp2k_global.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_global.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_global.mod' due to: input_cp2k_global.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_global.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod machine.mod cp_fm_elpa.mod input_constants.mod grid_api.mod cp_dbcsr_cp2k_link.mod bibliography.mod timings.mod cp_blacs_env.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cell_opt_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_para_types.mod input_keyword_types.mod cell_types.mod cp_units.mod mathconstants.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod input_cp2k_global.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_utils.F cell_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:46:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cell_opt_utils.F90 +/build/reproducible-path/cp2k-8.1/src/motion/cell_opt_utils.F:146:47: - 734 | WRITE (unit_nr, *) "NNP| NNP force environment initialized" - | ^ -Warning: 'unit_nr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'nnp_environment.mod' due to: nnp_environment.o /build/reproducible-path/cp2k-8.1/src/nnp_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod nnp_environment_types.mod distribution_1d_types.mod particle_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod molecule_types.mod cp_subsys_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod distribution_methods.mod cp_subsys_methods.mod bibliography.mod base_hooks.mod particle_methods.mod cp_log_handling.mod cell_methods.mod cp_parser_methods.mod periodic_table.mod nnp_model.mod nnp_acsf.mod + 146 | new_logger%iter_info%project_name = c_val + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cell_opt_utils.mod' due to: cell_opt_utils.o /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_para_types.mod input_keyword_types.mod cell_types.mod cp_units.mod mathconstants.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod input_cp2k_global.mod mathlib.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_embed.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_embed.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_embed.F input_cp2k_embed.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_embed.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_embed.mod' due to: input_cp2k_embed.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_embed.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cell_opt_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_units.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cell_opt_utils.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_types.F cell_opt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cell_opt_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cell_opt_types.mod' due to: cell_opt_types.o /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_units.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cell_opt_utils.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_qmmm.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_qmmm.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod cp_eri_mme_interface.mod string_utilities.mod cp_output_handling.mod cp_units.mod input_cp2k_subsys.mod pw_spline_utils.mod base_hooks.mod input_cp2k_mm.mod input_constants.mod input_cp2k_poisson.mod cp_spline_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_qmmm.F input_cp2k_qmmm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_qmmm.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_qmmm.mod' due to: input_cp2k_qmmm.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_qmmm.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod cp_eri_mme_interface.mod string_utilities.mod cp_output_handling.mod cp_units.mod input_cp2k_subsys.mod pw_spline_utils.mod base_hooks.mod input_cp2k_mm.mod input_constants.mod input_cp2k_poisson.mod cp_spline_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gopt_param_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/gopt_param_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/gopt_param_types.F gopt_param_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gopt_param_types.F90 +/build/reproducible-path/cp2k-8.1/src/motion/gopt_param_types.F:167:31: + + 167 | SUBROUTINE gopt_param_retain(gopt_param) + | ^ +Warning: 'gopt_param_retain' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gopt_param_types.mod' due to: gopt_param_types.o /build/reproducible-path/cp2k-8.1/src/motion/gopt_param_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_nnp.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_nnp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod cp_units.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_nnp.F input_cp2k_nnp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_nnp.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_nnp.mod' due to: input_cp2k_nnp.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_nnp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod cp_units.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gopt_f_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod cell_opt_types.mod particle_list_types.mod global_types.mod force_env_types.mod gopt_param_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_types.F gopt_f_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gopt_f_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gopt_f_types.mod' due to: gopt_f_types.o /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod cell_opt_types.mod particle_list_types.mod global_types.mod force_env_types.mod gopt_param_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_atprop.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_atprop.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod base_hooks.mod bibliography.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_atprop.F input_cp2k_atprop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_atprop.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_atprop.mod' due to: input_cp2k_atprop.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_atprop.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dimer_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/dimer_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/dimer_utils.F dimer_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dimer_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dimer_utils.mod' due to: dimer_utils.o /build/reproducible-path/cp2k-8.1/src/motion/dimer_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod memory_utilities.mod kinds.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_resp.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_resp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_resp.F input_cp2k_resp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_resp.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_resp.mod' due to: input_cp2k_resp.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_resp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod splines_types.mod parallel_rng_types.mod cell_types.mod kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/helium_types.F helium_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_types.F90 +/build/reproducible-path/cp2k-8.1/src/motion/helium_types.F:383:41: + + 383 | SUBROUTINE helium_destroy_real_arr_ptr(real_arr_p) + | ^ +Warning: 'helium_destroy_real_arr_ptr' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_types.mod' due to: helium_types.o /build/reproducible-path/cp2k-8.1/src/motion/helium_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod splines_types.mod parallel_rng_types.mod cell_types.mod kinds.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_properties_dft.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_properties_dft.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_atprop.mod string_utilities.mod input_cp2k_loc.mod cp_units.mod cp_output_handling.mod input_cp2k_dft.mod input_cp2k_xc.mod base_hooks.mod input_constants.mod input_cp2k_resp.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_properties_dft.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_properties_dft.mod' due to: input_cp2k_properties_dft.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_properties_dft.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_atprop.mod string_utilities.mod input_cp2k_loc.mod cp_units.mod cp_output_handling.mod input_cp2k_dft.mod input_cp2k_xc.mod base_hooks.mod input_constants.mod input_cp2k_resp.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/neb_types.F neb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_types.mod' due to: neb_types.o /build/reproducible-path/cp2k-8.1/src/motion/neb_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_eip.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_eip.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_eip.F input_cp2k_eip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_eip.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_eip.mod' due to: input_cp2k_eip.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_eip.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_free_energy.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_free_energy.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_free_energy.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_free_energy.mod' due to: input_cp2k_free_energy.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_free_energy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_mixed.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_mixed.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_mixed.F input_cp2k_mixed.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_mixed.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_mixed.mod' due to: input_cp2k_mixed.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_mixed.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'metadynamics_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/metadynamics_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod metadynamics_types.mod cp_para_types.mod input_keyword_types.mod force_env_types.mod cp_subsys_types.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod input_cp2k_free_energy.mod input_constants.mod machine.mod message_passing.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/metadynamics_utils.F metadynamics_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' metadynamics_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'metadynamics_utils.mod' due to: metadynamics_utils.o /build/reproducible-path/cp2k-8.1/src/metadynamics_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod metadynamics_types.mod cp_para_types.mod input_keyword_types.mod force_env_types.mod cp_subsys_types.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod input_cp2k_free_energy.mod input_constants.mod machine.mod message_passing.mod physcon.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_pwdft.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_pwdft.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_pwdft.F input_cp2k_pwdft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_pwdft.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_pwdft.mod' due to: input_cp2k_pwdft.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_pwdft.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'nnp_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/nnp_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod nnp_environment_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod distribution_1d_types.mod cp_parser_types.mod cell_types.mod cp_subsys_types.mod nnp_model.mod nnp_acsf.mod cp_log_handling.mod distribution_methods.mod cp_subsys_methods.mod cp_parser_methods.mod bibliography.mod particle_methods.mod periodic_table.mod kinds.mod base_hooks.mod cell_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/nnp_environment.F nnp_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' nnp_environment.F90 +/build/reproducible-path/cp2k-8.1/src/nnp_environment.F:734:68: + + 734 | WRITE (unit_nr, *) "NNP| NNP force environment initialized" + | ^ +Warning: 'unit_nr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'nnp_environment.mod' due to: nnp_environment.o /build/reproducible-path/cp2k-8.1/src/nnp_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod nnp_environment_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod distribution_1d_types.mod cp_parser_types.mod cell_types.mod cp_subsys_types.mod nnp_model.mod nnp_acsf.mod cp_log_handling.mod distribution_methods.mod cp_subsys_methods.mod cp_parser_methods.mod bibliography.mod particle_methods.mod periodic_table.mod kinds.mod base_hooks.mod cell_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_force_eval.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_force_eval.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod input_cp2k_embed.mod cp_output_handling.mod base_hooks.mod input_cp2k_mm.mod input_cp2k_qmmm.mod input_cp2k_nnp.mod input_cp2k_properties_dft.mod input_cp2k_subsys.mod input_cp2k_dft.mod input_cp2k_eip.mod input_cp2k_mixed.mod input_constants.mod cp_units.mod input_cp2k_pwdft.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_force_eval.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_force_eval.mod' due to: input_cp2k_force_eval.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_force_eval.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod input_cp2k_embed.mod cp_output_handling.mod base_hooks.mod input_cp2k_mm.mod input_cp2k_qmmm.mod input_cp2k_nnp.mod input_cp2k_properties_dft.mod input_cp2k_subsys.mod input_cp2k_dft.mod input_cp2k_eip.mod input_cp2k_mixed.mod input_constants.mod cp_units.mod input_cp2k_pwdft.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_error_handling.mod' due to: cp_error_handling.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'timings_report.mod' due to: timings_report.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_global.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_global.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod grid_api.mod timings.mod cp_blacs_env.mod string_utilities.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_fm_elpa.mod base_hooks.mod input_constants.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_global.F input_cp2k_global.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_global.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_global.mod' due to: input_cp2k_global.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_global.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod grid_api.mod timings.mod cp_blacs_env.mod string_utilities.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_fm_elpa.mod base_hooks.mod input_constants.mod machine.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'environment.o' due to: /build/reproducible-path/cp2k-8.1/src/environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod parallel_rng_types.mod input_enumeration_types.mod input_section_types.mod cp_fm_types.mod global_types.mod input_keyword_types.mod cp_para_types.mod kinds.mod timings.mod message_passing.mod string_utilities.mod cp_error_handling.mod cp_fm_diag.mod orbital_transformation_matrices.mod reference_manager.mod orbital_pointers.mod bibliography.mod cp_files.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod machine.mod timings_report.mod physcon.mod input_cp2k_global.mod cp_log_handling.mod fft_tools.mod header.mod input_constants.mod voronoi_interface.mod cp2k_info.mod cp_fm_diag_utils.mod gamma.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'environment.o' due to: /build/reproducible-path/cp2k-8.1/src/environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod parallel_rng_types.mod cp_para_types.mod input_keyword_types.mod input_enumeration_types.mod global_types.mod force_env_types.mod header.mod cp_log_handling.mod cp_error_handling.mod timings_report.mod message_passing.mod voronoi_interface.mod cp2k_info.mod cp_fm_diag_utils.mod input_cp2k_global.mod bibliography.mod orbital_pointers.mod cp_output_handling.mod machine.mod cp_fm_struct.mod kinds.mod base_hooks.mod timings.mod physcon.mod reference_manager.mod orbital_transformation_matrices.mod cp_files.mod fft_tools.mod gamma.mod string_utilities.mod input_constants.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/environment.F environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' environment.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'environment.mod' due to: environment.o /build/reproducible-path/cp2k-8.1/src/environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod parallel_rng_types.mod input_enumeration_types.mod input_section_types.mod cp_fm_types.mod global_types.mod input_keyword_types.mod cp_para_types.mod kinds.mod timings.mod message_passing.mod string_utilities.mod cp_error_handling.mod cp_fm_diag.mod orbital_transformation_matrices.mod reference_manager.mod orbital_pointers.mod bibliography.mod cp_files.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod machine.mod timings_report.mod physcon.mod input_cp2k_global.mod cp_log_handling.mod fft_tools.mod header.mod input_constants.mod voronoi_interface.mod cp2k_info.mod cp_fm_diag_utils.mod gamma.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' environment.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'environment.mod' due to: environment.o /build/reproducible-path/cp2k-8.1/src/environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod parallel_rng_types.mod cp_para_types.mod input_keyword_types.mod input_enumeration_types.mod global_types.mod force_env_types.mod header.mod cp_log_handling.mod cp_error_handling.mod timings_report.mod message_passing.mod voronoi_interface.mod cp2k_info.mod cp_fm_diag_utils.mod input_cp2k_global.mod bibliography.mod orbital_pointers.mod cp_output_handling.mod machine.mod cp_fm_struct.mod kinds.mod base_hooks.mod timings.mod physcon.mod reference_manager.mod orbital_transformation_matrices.mod cp_files.mod fft_tools.mod gamma.mod string_utilities.mod input_constants.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod mixed_energy_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod mixed_environment_types.mod molecule_types.mod kinds.mod base_hooks.mod cell_methods.mod distribution_methods.mod cp_subsys_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod mixed_environment_types.mod molecule_types.mod cp_para_types.mod particle_types.mod mixed_energy_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod distribution_methods.mod cp_subsys_methods.mod cell_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_environment.F mixed_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mixed_environment.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_environment.mod' due to: mixed_environment.o /build/reproducible-path/cp2k-8.1/src/mixed_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_subsys_types.mod input_section_types.mod mixed_energy_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod mixed_environment_types.mod molecule_types.mod kinds.mod base_hooks.mod cell_methods.mod distribution_methods.mod cp_subsys_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_environment.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_environment.mod' due to: mixed_environment.o /build/reproducible-path/cp2k-8.1/src/mixed_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod mixed_environment_types.mod molecule_types.mod cp_para_types.mod particle_types.mod mixed_energy_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod distribution_methods.mod cp_subsys_methods.mod cell_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_main.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod mixed_environment_types.mod kinds.mod cp_files.mod cp_para_env.mod message_passing.mod mixed_environment.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mixed_main.o' due to: /build/reproducible-path/cp2k-8.1/src/mixed_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod mixed_environment_types.mod cp_para_env.mod cp_files.mod mixed_environment.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mixed_main.F mixed_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mixed_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_main.F90 /build/reproducible-path/cp2k-8.1/src/mixed_main.F:167:68: 167 | mixed_env%sub_logger(i)%p%iter_info%project_name = c_val | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_main.mod' due to: mixed_main.o /build/reproducible-path/cp2k-8.1/src/mixed_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod mixed_environment_types.mod kinds.mod cp_files.mod cp_para_env.mod message_passing.mod mixed_environment.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'f77_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/f77_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 nnp_environment_types.mod force_env_types.mod embed_types.mod qs_environment_types.mod metadynamics_types.mod mixed_environment_types.mod input_enumeration_types.mod input_section_types.mod timings_types.mod qmmmx_types.mod cell_types.mod cp_result_types.mod global_types.mod input_keyword_types.mod cp_subsys_types.mod qmmm_types.mod virial_types.mod cp_para_types.mod fp_types.mod pwdft_environment_types.mod eip_environment_types.mod kinds.mod qmmmx_create.mod timings.mod message_passing.mod pw_cuda.mod pwdft_environment.mod cp_error_handling.mod string_table.mod embed_main.mod reference_manager.mod force_env_methods.mod bibliography.mod cp_files.mod cp_output_handling.mod input_cp2k_read.mod metadynamics_utils.mod base_hooks.mod input_cp2k_check.mod machine.mod grid_api.mod cp_para_env.mod fist_main.mod cp_log_handling.mod eip_environment.mod cp_result_methods.mod qmmm_create.mod nnp_environment.mod input_constants.mod qs_environment.mod input_cp2k_force_eval.mod cp2k_info.mod environment.mod periodic_table.mod mixed_main.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/f77_interface.F f77_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' f77_interface.F90 -/build/reproducible-path/cp2k-8.1/src/f77_interface.F:1170:21: - - 1170 | SUBROUTINE get_vel(env_id, vel, n_el, ierr) - | ^ -Warning: 'get_vel' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'f77_interface.mod' due to: f77_interface.o /build/reproducible-path/cp2k-8.1/src/f77_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 nnp_environment_types.mod force_env_types.mod embed_types.mod qs_environment_types.mod metadynamics_types.mod mixed_environment_types.mod input_enumeration_types.mod input_section_types.mod timings_types.mod qmmmx_types.mod cell_types.mod cp_result_types.mod global_types.mod input_keyword_types.mod cp_subsys_types.mod qmmm_types.mod virial_types.mod cp_para_types.mod fp_types.mod pwdft_environment_types.mod eip_environment_types.mod kinds.mod qmmmx_create.mod timings.mod message_passing.mod pw_cuda.mod pwdft_environment.mod cp_error_handling.mod string_table.mod embed_main.mod reference_manager.mod force_env_methods.mod bibliography.mod cp_files.mod cp_output_handling.mod input_cp2k_read.mod metadynamics_utils.mod base_hooks.mod input_cp2k_check.mod machine.mod grid_api.mod cp_para_env.mod fist_main.mod cp_log_handling.mod eip_environment.mod cp_result_methods.mod qmmm_create.mod nnp_environment.mod input_constants.mod qs_environment.mod input_cp2k_force_eval.mod cp2k_info.mod environment.mod periodic_table.mod mixed_main.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'replica_types.o' due to: /build/reproducible-path/cp2k-8.1/src/replica_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_result_types.mod qs_wf_history_types.mod kinds.mod cp_para_env.mod message_passing.mod cp_output_handling.mod f77_interface.mod cp_log_handling.mod cp_result_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/replica_types.F replica_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' replica_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'replica_types.mod' due to: replica_types.o /build/reproducible-path/cp2k-8.1/src/replica_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_result_types.mod qs_wf_history_types.mod kinds.mod cp_para_env.mod message_passing.mod cp_output_handling.mod f77_interface.mod cp_log_handling.mod cp_result_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mixed_main.mod' due to: mixed_main.o /build/reproducible-path/cp2k-8.1/src/mixed_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod mixed_environment_types.mod cp_para_env.mod cp_files.mod mixed_environment.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod parallel_rng_types.mod gle_system_types.mod replica_types.mod kinds.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_types.F pint_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_types.mod' due to: pint_types.o /build/reproducible-path/cp2k-8.1/src/motion/pint_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod parallel_rng_types.mod gle_system_types.mod replica_types.mod kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_read.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_read.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod cp_units.mod base_hooks.mod input_parsing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_read.F input_cp2k_read.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_read.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_read.mod' due to: input_cp2k_read.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_read.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod cp_units.mod base_hooks.mod input_parsing.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_staging.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_staging.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_staging.F pint_staging.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_staging.F90 -/build/reproducible-path/cp2k-8.1/src/motion/pint_staging.F:96:28: - - 96 | SUBROUTINE staging_retain(staging_env) - | ^ -Warning: 'staging_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod kinds.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/neb_types.F neb_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' neb_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_types.mod' due to: neb_types.o /build/reproducible-path/cp2k-8.1/src/motion/neb_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'embed_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/embed_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_types.mod embed_types.mod cp_para_types.mod particle_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod distribution_methods.mod cp_subsys_methods.mod cell_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/embed_environment.F embed_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' embed_environment.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'embed_environment.mod' due to: embed_environment.o /build/reproducible-path/cp2k-8.1/src/embed_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_types.mod embed_types.mod cp_para_types.mod particle_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod distribution_methods.mod cp_subsys_methods.mod cell_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_md_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_md_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 neb_types.mod input_section_types.mod particle_types.mod global_types.mod kinds.mod cp_units.mod base_hooks.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/neb_md_utils.F neb_md_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' neb_md_utils.F90 -/build/reproducible-path/cp2k-8.1/src/motion/neb_md_utils.F:119:47: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'embed_main.o' due to: /build/reproducible-path/cp2k-8.1/src/embed_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod embed_types.mod cp_para_types.mod cp_para_env.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod embed_environment.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/embed_main.F embed_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' embed_main.F90 +/build/reproducible-path/cp2k-8.1/src/embed_main.F:168:68: - 119 | temp = 2.0_dp*akin/REAL(nvar, KIND=dp) - | ^ -Warning: 'nvar' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_md_utils.mod' due to: neb_md_utils.o /build/reproducible-path/cp2k-8.1/src/motion/neb_md_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 neb_types.mod input_section_types.mod particle_types.mod global_types.mod kinds.mod cp_units.mod base_hooks.mod input_constants.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'csvr_system_types.o' due to: /build/reproducible-path/cp2k-8.1/src/csvr_system_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod parallel_rng_types.mod extended_system_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/csvr_system_types.F csvr_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' csvr_system_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'csvr_system_types.mod' due to: csvr_system_types.o /build/reproducible-path/cp2k-8.1/src/csvr_system_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod parallel_rng_types.mod extended_system_types.mod kinds.mod bibliography.mod string_utilities.mod base_hooks.mod + 168 | embed_env%sub_logger(i)%p%iter_info%project_name = c_val + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'embed_main.mod' due to: embed_main.o /build/reproducible-path/cp2k-8.1/src/embed_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod embed_types.mod cp_para_types.mod cp_para_env.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod embed_environment.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'al_system_types.o' due to: /build/reproducible-path/cp2k-8.1/src/al_system_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod extended_system_types.mod kinds.mod bibliography.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/al_system_types.F al_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' al_system_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'al_system_types.mod' due to: al_system_types.o /build/reproducible-path/cp2k-8.1/src/al_system_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod extended_system_types.mod kinds.mod bibliography.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'fist_main.o' due to: /build/reproducible-path/cp2k-8.1/src/fist_main.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod cp_para_types.mod fist_environment_types.mod global_types.mod force_env_types.mod cp_subsys_types.mod base_hooks.mod fist_environment.mod force_env_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/fist_main.F fist_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_main.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'fist_main.mod' due to: fist_main.o /build/reproducible-path/cp2k-8.1/src/fist_main.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types_low.mod cp_para_types.mod fist_environment_types.mod global_types.mod force_env_types.mod cp_subsys_types.mod base_hooks.mod fist_environment.mod force_env_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermostat_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod csvr_system_types.mod al_system_types.mod simpar_types.mod extended_system_types.mod gle_system_types.mod kinds.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_types.F thermostat_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' thermostat_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermostat_types.mod' due to: thermostat_types.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod csvr_system_types.mod al_system_types.mod simpar_types.mod extended_system_types.mod gle_system_types.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmmx_create.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmmx_create.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod qmmmx_types.mod global_types.mod qmmm_types.mod cp_subsys_types.mod qmmm_create.mod qmmmx_util.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmmx_create.F qmmmx_create.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmmx_create.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmmx_create.mod' due to: qmmmx_create.o /build/reproducible-path/cp2k-8.1/src/qmmmx_create.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod qmmmx_types.mod global_types.mod qmmm_types.mod cp_subsys_types.mod qmmm_create.mod qmmmx_util.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermostat_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod distribution_1d_types.mod extended_system_types.mod molecule_list_types.mod particle_types.mod thermostat_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod simpar_types.mod cell_types.mod molecule_types.mod qmmm_types.mod cp_para_types.mod kinds.mod message_passing.mod motion_utils.mod cp_output_handling.mod base_hooks.mod machine.mod physcon.mod cp_log_handling.mod input_constants.mod cp_units.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F thermostat_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' thermostat_utils.F90 -/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F:605:41: - - 605 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE. - | ^ -Warning: 'nmolecule' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F:317:38: - - 317 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE. - | ^ -Warning: 'nmolecule' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermostat_utils.mod' due to: thermostat_utils.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod distribution_1d_types.mod extended_system_types.mod molecule_list_types.mod particle_types.mod thermostat_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod simpar_types.mod cell_types.mod molecule_types.mod qmmm_types.mod cp_para_types.mod kinds.mod message_passing.mod motion_utils.mod cp_output_handling.mod base_hooks.mod machine.mod physcon.mod cp_log_handling.mod input_constants.mod cp_units.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_nnp.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_nnp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod base_hooks.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_nnp.F input_cp2k_nnp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_nnp.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_nnp.mod' due to: input_cp2k_nnp.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_nnp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod base_hooks.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermostat_mapping.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod cell_types.mod distribution_1d_types.mod extended_system_types.mod kinds.mod util.mod message_passing.mod memory_utilities.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:53 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' thermostat_mapping.F90 -/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:576:38: - - 576 | ALLOCATE (map_info%s_kin(nsize)) - | ^ -Warning: 'nsize' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:554:69: - - 554 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const - | ^ -Warning: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:983:66: - - 983 | id_region = map_loc_thermo_gen(iatm) - | ^ -Warning: 'iatm' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:830:56: - - 830 | INTEGER :: atm_offset, first_atom, handle, i, iatm, icount, id_region, ikind, ilist, imol, & - | ^ -note: 'iatm' was declared here -/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:121:38: - - 121 | ALLOCATE (map_info%s_kin(nsize)) - | ^ -Warning: 'nsize' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:100:80: - - 100 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const - | ^ -Warning: 'MEM[(struct array01_integer(kind=4) &)&tot_const].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:100:69: - - 100 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const - | ^ -Warning: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermostat_mapping.mod' due to: thermostat_mapping.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod cell_types.mod distribution_1d_types.mod extended_system_types.mod kinds.mod util.mod message_passing.mod memory_utilities.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_eip.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_eip.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod string_utilities.mod base_hooks.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_eip.F input_cp2k_eip.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_eip.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_eip.mod' due to: input_cp2k_eip.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_eip.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod string_utilities.mod base_hooks.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'extended_system_mapping.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod distribution_1d_types.mod extended_system_types.mod thermostat_types.mod kinds.mod message_passing.mod base_hooks.mod thermostat_mapping.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' extended_system_mapping.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'extended_system_mapping.mod' due to: extended_system_mapping.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod distribution_1d_types.mod extended_system_types.mod thermostat_types.mod kinds.mod message_passing.mod base_hooks.mod thermostat_mapping.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_pwdft.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_pwdft.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_pwdft.F input_cp2k_pwdft.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_pwdft.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_pwdft.mod' due to: input_cp2k_pwdft.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_pwdft.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod base_hooks.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'extended_system_init.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod thermostat_types.mod cell_types.mod distribution_1d_types.mod extended_system_types.mod global_types.mod kinds.mod thermostat_utils.mod input_cp2k_binary_restarts.mod base_hooks.mod extended_system_mapping.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:42:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' extended_system_init.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'extended_system_init.mod' due to: extended_system_init.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod thermostat_types.mod cell_types.mod distribution_1d_types.mod extended_system_types.mod global_types.mod kinds.mod thermostat_utils.mod input_cp2k_binary_restarts.mod base_hooks.mod extended_system_mapping.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_mixed.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_mixed.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_mixed.F input_cp2k_mixed.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_mixed.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_mixed.mod' due to: input_cp2k_mixed.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_mixed.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'barostat_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod cell_types.mod extended_system_types.mod force_env_types.mod global_types.mod kinds.mod extended_system_init.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_types.F barostat_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' barostat_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'barostat_types.mod' due to: barostat_types.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod cell_types.mod extended_system_types.mod force_env_types.mod global_types.mod kinds.mod extended_system_init.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_qmmm.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_qmmm.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cell_types.mod cp_eri_mme_interface.mod cp_units.mod kinds.mod string_utilities.mod pw_spline_utils.mod base_hooks.mod input_constants.mod input_cp2k_poisson.mod bibliography.mod input_cp2k_subsys.mod input_cp2k_mm.mod cp_output_handling.mod cp_spline_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_qmmm.F input_cp2k_qmmm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_qmmm.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_qmmm.mod' due to: input_cp2k_qmmm.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_qmmm.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cell_types.mod cp_eri_mme_interface.mod cp_units.mod kinds.mod string_utilities.mod pw_spline_utils.mod base_hooks.mod input_constants.mod input_cp2k_poisson.mod bibliography.mod input_cp2k_subsys.mod input_cp2k_mm.mod cp_output_handling.mod cp_spline_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_ener_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_ener_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_ener_types.F md_ener_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' md_ener_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_ener_types.mod' due to: md_ener_types.o /build/reproducible-path/cp2k-8.1/src/motion/md_ener_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_resp.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_resp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_resp.F input_cp2k_resp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_resp.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_resp.mod' due to: input_cp2k_resp.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_resp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'averages_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/averages_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod virial_types.mod cell_types.mod md_ener_types.mod force_env_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod colvar_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/averages_types.F averages_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' averages_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'averages_types.mod' due to: averages_types.o /build/reproducible-path/cp2k-8.1/src/motion/averages_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod virial_types.mod cell_types.mod md_ener_types.mod force_env_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod colvar_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_atprop.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_atprop.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_atprop.F input_cp2k_atprop.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_atprop.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_atprop.mod' due to: input_cp2k_atprop.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_atprop.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod base_hooks.mod bibliography.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermal_region_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_types.F thermal_region_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' thermal_region_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermal_region_types.mod' due to: thermal_region_types.o /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_properties_dft.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_properties_dft.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod input_cp2k_resp.mod input_cp2k_dft.mod input_cp2k_loc.mod input_cp2k_xc.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod input_cp2k_atprop.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_properties_dft.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_properties_dft.mod' due to: input_cp2k_properties_dft.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_properties_dft.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod input_cp2k_resp.mod input_cp2k_dft.mod input_cp2k_loc.mod input_cp2k_xc.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod input_cp2k_atprop.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'reftraj_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/reftraj_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/reftraj_types.F reftraj_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' reftraj_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'reftraj_types.mod' due to: reftraj_types.o /build/reproducible-path/cp2k-8.1/src/motion/reftraj_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_embed.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_embed.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_embed.F input_cp2k_embed.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_embed.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_embed.mod' due to: input_cp2k_embed.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_embed.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'free_energy_types.o' due to: /build/reproducible-path/cp2k-8.1/src/free_energy_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/free_energy_types.F free_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' free_energy_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'free_energy_types.mod' due to: free_energy_types.o /build/reproducible-path/cp2k-8.1/src/free_energy_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_force_eval.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_force_eval.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod input_cp2k_nnp.mod input_cp2k_dft.mod input_cp2k_eip.mod input_cp2k_pwdft.mod cp_units.mod input_cp2k_subsys.mod input_cp2k_mm.mod cp_output_handling.mod input_cp2k_mixed.mod input_cp2k_qmmm.mod kinds.mod base_hooks.mod input_cp2k_properties_dft.mod input_cp2k_embed.mod string_utilities.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_force_eval.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_force_eval.mod' due to: input_cp2k_force_eval.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_force_eval.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod input_cp2k_nnp.mod input_cp2k_dft.mod input_cp2k_eip.mod input_cp2k_pwdft.mod cp_units.mod input_cp2k_subsys.mod input_cp2k_mm.mod cp_output_handling.mod input_cp2k_mixed.mod input_cp2k_qmmm.mod kinds.mod base_hooks.mod input_cp2k_properties_dft.mod input_cp2k_embed.mod string_utilities.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod input_section_types.mod averages_types.mod simpar_types.mod thermostat_types.mod cp_para_types.mod thermal_region_types.mod cell_types.mod md_ener_types.mod reftraj_types.mod extended_system_types.mod force_env_types.mod free_energy_types.mod kinds.mod cp_para_env.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_environment_types.F md_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:06 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' md_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_environment_types.mod' due to: md_environment_types.o /build/reproducible-path/cp2k-8.1/src/motion/md_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod input_section_types.mod averages_types.mod simpar_types.mod thermostat_types.mod cp_para_types.mod thermal_region_types.mod cell_types.mod md_ener_types.mod reftraj_types.mod extended_system_types.mod force_env_types.mod free_energy_types.mod kinds.mod cp_para_env.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'eip_environment.o' due to: /build/reproducible-path/cp2k-8.1/src/eip_environment.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_types.mod cp_para_types.mod eip_environment_types.mod particle_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod distribution_methods.mod cp_subsys_methods.mod cell_methods.mod particle_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/eip_environment.F eip_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eip_environment.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'eip_environment.mod' due to: eip_environment.o /build/reproducible-path/cp2k-8.1/src/eip_environment.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_types.mod cp_para_types.mod eip_environment_types.mod particle_types.mod cell_types.mod cp_subsys_types.mod molecule_kind_types.mod distribution_1d_types.mod kinds.mod base_hooks.mod distribution_methods.mod cp_subsys_methods.mod cell_methods.mod particle_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod parallel_rng_types.mod splines_types.mod kinds.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/helium_types.F helium_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' helium_types.F90 -/build/reproducible-path/cp2k-8.1/src/motion/helium_types.F:383:41: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'f77_interface.o' due to: /build/reproducible-path/cp2k-8.1/src/f77_interface.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod timings_types.mod qmmm_types.mod metadynamics_types.mod embed_types.mod eip_environment_types.mod qmmmx_types.mod nnp_environment_types.mod cp_result_types.mod pwdft_environment_types.mod fp_types.mod cp_para_types.mod input_keyword_types.mod virial_types.mod input_enumeration_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod mixed_environment_types.mod cp_log_handling.mod metadynamics_utils.mod nnp_environment.mod cp_error_handling.mod force_env_methods.mod environment.mod grid_api.mod message_passing.mod input_cp2k_check.mod mixed_main.mod cp2k_info.mod input_cp2k_read.mod qs_environment.mod bibliography.mod embed_main.mod string_table.mod cp_output_handling.mod machine.mod cp_para_env.mod periodic_table.mod qmmm_create.mod kinds.mod base_hooks.mod fist_main.mod pw_cuda.mod pwdft_environment.mod timings.mod cp_result_methods.mod reference_manager.mod cp_files.mod qmmmx_create.mod input_constants.mod input_cp2k_force_eval.mod eip_environment.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/f77_interface.F f77_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' f77_interface.F90 +/build/reproducible-path/cp2k-8.1/src/f77_interface.F:1170:21: - 383 | SUBROUTINE helium_destroy_real_arr_ptr(real_arr_p) - | ^ -Warning: 'helium_destroy_real_arr_ptr' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_types.mod' due to: helium_types.o /build/reproducible-path/cp2k-8.1/src/motion/helium_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod parallel_rng_types.mod splines_types.mod kinds.mod cp_log_handling.mod base_hooks.mod + 1170 | SUBROUTINE get_vel(env_id, vel, n_el, ierr) + | ^ +Warning: 'get_vel' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'f77_interface.mod' due to: f77_interface.o /build/reproducible-path/cp2k-8.1/src/f77_interface.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod timings_types.mod qmmm_types.mod metadynamics_types.mod embed_types.mod eip_environment_types.mod qmmmx_types.mod nnp_environment_types.mod cp_result_types.mod pwdft_environment_types.mod fp_types.mod cp_para_types.mod input_keyword_types.mod virial_types.mod input_enumeration_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod mixed_environment_types.mod cp_log_handling.mod metadynamics_utils.mod nnp_environment.mod cp_error_handling.mod force_env_methods.mod environment.mod grid_api.mod message_passing.mod input_cp2k_check.mod mixed_main.mod cp2k_info.mod input_cp2k_read.mod qs_environment.mod bibliography.mod embed_main.mod string_table.mod cp_output_handling.mod machine.mod cp_para_env.mod periodic_table.mod qmmm_create.mod kinds.mod base_hooks.mod fist_main.mod pw_cuda.mod pwdft_environment.mod timings.mod cp_result_methods.mod reference_manager.mod cp_files.mod qmmmx_create.mod input_constants.mod input_cp2k_force_eval.mod eip_environment.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_restart_rng.o' due to: /build/reproducible-path/cp2k-8.1/src/input_restart_rng.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod parallel_rng_types.mod cp_linked_list_input.mod string_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_restart_rng.F input_restart_rng.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_restart_rng.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_restart_rng.mod' due to: input_restart_rng.o /build/reproducible-path/cp2k-8.1/src/input_restart_rng.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod parallel_rng_types.mod cp_linked_list_input.mod string_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'replica_types.o' due to: /build/reproducible-path/cp2k-8.1/src/replica_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_wf_history_types.mod cp_result_types.mod cp_para_env.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod message_passing.mod f77_interface.mod cp_result_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/replica_types.F replica_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' replica_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'replica_types.mod' due to: replica_types.o /build/reproducible-path/cp2k-8.1/src/replica_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_wf_history_types.mod cp_result_types.mod cp_para_env.mod kinds.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod message_passing.mod f77_interface.mod cp_result_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_restart_force_eval.o' due to: /build/reproducible-path/cp2k-8.1/src/input_restart_force_eval.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod nnp_environment_types.mod distribution_1d_types.mod force_env_types.mod molecule_list_types.mod cp_control_types.mod qs_environment_types.mod parallel_rng_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod input_val_types.mod molecule_types.mod multipole_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod eip_environment_types.mod kinds.mod message_passing.mod string_utilities.mod cp_linked_list_input.mod cp_files.mod base_hooks.mod qmmm_ff_fist.mod input_cp2k_restarts_util.mod input_constants.mod cp_units.mod input_restart_rng.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_restart_force_eval.F input_restart_force_eval.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_restart_force_eval.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_restart_force_eval.mod' due to: input_restart_force_eval.o /build/reproducible-path/cp2k-8.1/src/input_restart_force_eval.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod nnp_environment_types.mod distribution_1d_types.mod force_env_types.mod molecule_list_types.mod cp_control_types.mod qs_environment_types.mod parallel_rng_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod cell_types.mod input_val_types.mod molecule_types.mod multipole_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod eip_environment_types.mod kinds.mod message_passing.mod string_utilities.mod cp_linked_list_input.mod cp_files.mod base_hooks.mod qmmm_ff_fist.mod input_cp2k_restarts_util.mod input_constants.mod cp_units.mod input_restart_rng.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod gle_system_types.mod replica_types.mod parallel_rng_types.mod kinds.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_types.F pint_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_types.mod' due to: pint_types.o /build/reproducible-path/cp2k-8.1/src/motion/pint_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod gle_system_types.mod replica_types.mod parallel_rng_types.mod kinds.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_normalmode.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_normalmode.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod kinds.mod base_hooks.mod mathconstants.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_normalmode.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_normalmode.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_normalmode.F pint_normalmode.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_normalmode.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_normalmode.F90 /build/reproducible-path/cp2k-8.1/src/motion/pint_normalmode.F:189:31: 189 | SUBROUTINE normalmode_retain(normalmode_env) | ^ Warning: 'normalmode_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_normalmode.mod' due to: pint_normalmode.o /build/reproducible-path/cp2k-8.1/src/motion/pint_normalmode.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod kinds.mod base_hooks.mod mathconstants.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_normalmode.mod' due to: pint_normalmode.o /build/reproducible-path/cp2k-8.1/src/motion/pint_normalmode.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod mathconstants.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_staging.mod' due to: pint_staging.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_staging.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_staging.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_staging.F pint_staging.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_staging.F90 +/build/reproducible-path/cp2k-8.1/src/motion/pint_staging.F:96:28: + + 96 | SUBROUTINE staging_retain(staging_env) + | ^ +Warning: 'staging_retain' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_staging.mod' due to: pint_staging.o /build/reproducible-path/cp2k-8.1/src/motion/pint_staging.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_transformations.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_transformations.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod kinds.mod pint_normalmode.mod base_hooks.mod input_constants.mod pint_staging.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_transformations.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_transformations.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod kinds.mod pint_normalmode.mod base_hooks.mod input_constants.mod pint_staging.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_transformations.F pint_transformations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_transformations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_transformations.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_transformations.mod' due to: pint_transformations.o /build/reproducible-path/cp2k-8.1/src/motion/pint_transformations.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod kinds.mod pint_normalmode.mod base_hooks.mod input_constants.mod pint_staging.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_restarts.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_restarts.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 extended_system_types.mod force_env_types.mod molecule_list_types.mod csvr_system_types.mod md_environment_types.mod al_system_types.mod pint_types.mod particle_types.mod parallel_rng_types.mod gle_system_types.mod metadynamics_types.mod thermostat_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod simpar_types.mod helium_types.mod atomic_kind_list_types.mod input_val_types.mod neb_types.mod cp_subsys_types.mod averages_types.mod cp_para_types.mod kinds.mod thermostat_utils.mod message_passing.mod string_utilities.mod input_restart_force_eval.mod cp_linked_list_input.mod cp_output_handling.mod pint_transformations.mod base_hooks.mod physcon.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp2k_info.mod input_restart_rng.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_restarts.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_restarts.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_subsys_types.mod simpar_types.mod al_system_types.mod molecule_kind_list_types.mod averages_types.mod metadynamics_types.mod parallel_rng_types.mod particle_types.mod input_val_types.mod csvr_system_types.mod gle_system_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod helium_types.mod thermostat_types.mod neb_types.mod molecule_list_types.mod pint_types.mod particle_list_types.mod force_env_types.mod extended_system_types.mod cp_log_handling.mod message_passing.mod cp2k_info.mod cp_linked_list_input.mod cp_output_handling.mod pint_transformations.mod memory_utilities.mod kinds.mod base_hooks.mod input_restart_force_eval.mod physcon.mod input_restart_rng.mod string_utilities.mod thermostat_utils.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_restarts.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_restarts.mod' due to: input_cp2k_restarts.o /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_restarts.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 extended_system_types.mod force_env_types.mod molecule_list_types.mod csvr_system_types.mod md_environment_types.mod al_system_types.mod pint_types.mod particle_types.mod parallel_rng_types.mod gle_system_types.mod metadynamics_types.mod thermostat_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod simpar_types.mod helium_types.mod atomic_kind_list_types.mod input_val_types.mod neb_types.mod cp_subsys_types.mod averages_types.mod cp_para_types.mod kinds.mod thermostat_utils.mod message_passing.mod string_utilities.mod input_restart_force_eval.mod cp_linked_list_input.mod cp_output_handling.mod pint_transformations.mod base_hooks.mod physcon.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp2k_info.mod input_restart_rng.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_thermostats.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_thermostats.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod input_cp2k_subsys.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_thermostats.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_thermostats.mod' due to: input_cp2k_thermostats.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_thermostats.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_units.mod cp_output_handling.mod input_cp2k_subsys.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_restarts.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_restarts.mod' due to: input_cp2k_restarts.o /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_restarts.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_subsys_types.mod simpar_types.mod al_system_types.mod molecule_kind_list_types.mod averages_types.mod metadynamics_types.mod parallel_rng_types.mod particle_types.mod input_val_types.mod csvr_system_types.mod gle_system_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod helium_types.mod thermostat_types.mod neb_types.mod molecule_list_types.mod pint_types.mod particle_list_types.mod force_env_types.mod extended_system_types.mod cp_log_handling.mod message_passing.mod cp2k_info.mod cp_linked_list_input.mod cp_output_handling.mod pint_transformations.mod memory_utilities.mod kinds.mod base_hooks.mod input_restart_force_eval.mod physcon.mod input_restart_rng.mod string_utilities.mod thermostat_utils.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_neb.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_neb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_thermostats.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_neb.F input_cp2k_neb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_neb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_neb.mod' due to: input_cp2k_neb.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_neb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_thermostats.mod string_utilities.mod cp_units.mod cp_output_handling.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_io.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod replica_types.mod particle_types.mod input_enumeration_types.mod input_section_types.mod cell_types.mod input_keyword_types.mod neb_types.mod kinds.mod input_cp2k_restarts.mod cp_files.mod cp_output_handling.mod base_hooks.mod machine.mod physcon.mod input_cp2k_neb.mod particle_methods.mod f77_interface.mod cp_log_handling.mod header.mod input_constants.mod cp2k_info.mod cp_units.mod neb_md_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/neb_io.F neb_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' neb_io.F90 -/build/reproducible-path/cp2k-8.1/src/motion/neb_io.F:426:55: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gopt_f_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod atomic_kind_types.mod gopt_f_types.mod dimer_types.mod particle_types.mod cp_para_types.mod atomic_kind_list_types.mod gopt_param_types.mod virial_types.mod distribution_1d_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod dimer_utils.mod cp_units.mod qmmmx_util.mod virial_methods.mod motion_utils.mod particle_methods.mod machine.mod input_cp2k_restarts.mod kinds.mod base_hooks.mod qmmm_util.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_methods.F gopt_f_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gopt_f_methods.F90 +/build/reproducible-path/cp2k-8.1/src/motion/gopt_f_methods.F:978:14: - 426 | logger%iter_info%project_name = replica_proj_name - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_io.mod' due to: neb_io.o /build/reproducible-path/cp2k-8.1/src/motion/neb_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod replica_types.mod particle_types.mod input_enumeration_types.mod input_section_types.mod cell_types.mod input_keyword_types.mod neb_types.mod kinds.mod input_cp2k_restarts.mod cp_files.mod cp_output_handling.mod base_hooks.mod machine.mod physcon.mod input_cp2k_neb.mod particle_methods.mod f77_interface.mod cp_log_handling.mod header.mod input_constants.mod cp2k_info.mod cp_units.mod neb_md_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mdctrl_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mdctrl_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mdctrl_types.F mdctrl_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mdctrl_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mdctrl_types.mod' due to: mdctrl_types.o /build/reproducible-path/cp2k-8.1/src/mdctrl_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'reftraj_util.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/reftraj_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod force_env_types.mod molecule_list_types.mod md_environment_types.mod particle_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod simpar_types.mod atomic_kind_list_types.mod molecule_types.mod cp_subsys_types.mod cp_para_types.mod reftraj_types.mod kinds.mod message_passing.mod util.mod cp_files.mod cp_output_handling.mod base_hooks.mod machine.mod physcon.mod cp_log_handling.mod cp_parser_methods.mod cp_units.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/reftraj_util.F reftraj_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' reftraj_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'reftraj_util.mod' due to: reftraj_util.o /build/reproducible-path/cp2k-8.1/src/motion/reftraj_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod force_env_types.mod molecule_list_types.mod md_environment_types.mod particle_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod simpar_types.mod atomic_kind_list_types.mod molecule_types.mod cp_subsys_types.mod cp_para_types.mod reftraj_types.mod kinds.mod message_passing.mod util.mod cp_files.mod cp_output_handling.mod base_hooks.mod machine.mod physcon.mod cp_log_handling.mod cp_parser_methods.mod cp_units.mod + 978 | CPASSERT((SIZE(x) == idg + 6)) + | ^ +Warning: 'idg' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gopt_f_methods.mod' due to: gopt_f_methods.o /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod atomic_kind_types.mod gopt_f_types.mod dimer_types.mod particle_types.mod cp_para_types.mod atomic_kind_list_types.mod gopt_param_types.mod virial_types.mod distribution_1d_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod dimer_utils.mod cp_units.mod qmmmx_util.mod virial_methods.mod motion_utils.mod particle_methods.mod machine.mod input_cp2k_restarts.mod kinds.mod base_hooks.mod qmmm_util.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'statistical_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/statistical_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 global_types.mod kinds.mod util.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/statistical_methods.F statistical_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' statistical_methods.F90 -/build/reproducible-path/cp2k-8.1/src/statistical_methods.F:440:19: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cg_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cg_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 dimer_types.mod cp_para_types.mod global_types.mod gopt_param_types.mod gopt_f_types.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod dimer_utils.mod input_constants.mod cp_external_control.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cg_utils.F cg_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cg_utils.F90 +/build/reproducible-path/cp2k-8.1/src/motion/cg_utils.F:810:19: - 440 | SUBROUTINE tests(xdata, globenv) + 810 | IF (ABS(d) .GT. ABS(0.5_dp*olde)) skip0 = .TRUE. | ^ -Warning: 'tests' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'statistical_methods.mod' due to: statistical_methods.o /build/reproducible-path/cp2k-8.1/src/statistical_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 global_types.mod kinds.mod util.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'free_energy_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/free_energy_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod md_environment_types.mod simpar_types.mod force_env_types.mod free_energy_types.mod colvar_methods.mod kinds.mod statistical_methods.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod fparser.mod input_constants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/free_energy_methods.F free_energy_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' free_energy_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'free_energy_methods.mod' due to: free_energy_methods.o /build/reproducible-path/cp2k-8.1/src/motion/free_energy_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod md_environment_types.mod simpar_types.mod force_env_types.mod free_energy_types.mod colvar_methods.mod kinds.mod statistical_methods.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod fparser.mod input_constants.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'wiener_process.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/wiener_process.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod md_environment_types.mod simpar_types.mod cp_para_types.mod atomic_kind_list_types.mod distribution_1d_types.mod parallel_rng_types.mod metadynamics_types.mod force_env_types.mod kinds.mod string_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/wiener_process.F wiener_process.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' wiener_process.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'wiener_process.mod' due to: wiener_process.o /build/reproducible-path/cp2k-8.1/src/motion/wiener_process.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod md_environment_types.mod simpar_types.mod cp_para_types.mod atomic_kind_list_types.mod distribution_1d_types.mod parallel_rng_types.mod metadynamics_types.mod force_env_types.mod kinds.mod string_utilities.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermal_region_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod simpar_types.mod thermal_region_types.mod force_env_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_utils.F thermal_region_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' thermal_region_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermal_region_utils.mod' due to: thermal_region_utils.o /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod simpar_types.mod thermal_region_types.mod force_env_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod input_constants.mod physcon.mod +Warning: 'e' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cg_utils.mod' due to: cg_utils.o /build/reproducible-path/cp2k-8.1/src/motion/cg_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 dimer_types.mod cp_para_types.mod global_types.mod gopt_param_types.mod gopt_f_types.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod dimer_utils.mod input_constants.mod cp_external_control.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_barostats.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod input_cp2k_thermostats.mod string_utilities.mod cp_output_handling.mod cp_units.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_barostats.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_barostats.mod' due to: input_cp2k_barostats.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod input_cp2k_thermostats.mod string_utilities.mod cp_output_handling.mod cp_units.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cg_optimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cg_optimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod cp_para_types.mod global_types.mod force_env_types.mod cell_types.mod gopt_param_types.mod gopt_f_types.mod gopt_f_methods.mod kinds.mod cp_log_handling.mod cg_utils.mod base_hooks.mod machine.mod cp_external_control.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cg_optimizer.F cg_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cg_optimizer.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cg_optimizer.mod' due to: cg_optimizer.o /build/reproducible-path/cp2k-8.1/src/motion/cg_optimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod cp_para_types.mod global_types.mod force_env_types.mod cell_types.mod gopt_param_types.mod gopt_f_types.mod gopt_f_methods.mod kinds.mod cp_log_handling.mod cg_utils.mod base_hooks.mod machine.mod cp_external_control.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_md.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_md.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_thermostats.mod string_utilities.mod cp_units.mod cp_output_handling.mod input_cp2k_barostats.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_md.F input_cp2k_md.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_md.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_md.mod' due to: input_cp2k_md.o /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_md.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_thermostats.mod string_utilities.mod cp_units.mod cp_output_handling.mod input_cp2k_barostats.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'integrator_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/integrator_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod simpar_types.mod barostat_types.mod particle_types.mod molecule_kind_types.mod shell_potential_types.mod molecule_types.mod md_environment_types.mod cp_para_types.mod thermostat_types.mod virial_types.mod distribution_1d_types.mod cell_types.mod extended_system_types.mod constraint_util.mod message_passing.mod constraint.mod mathlib.mod kinds.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/integrator_utils.F integrator_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' integrator_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'integrator_utils.mod' due to: integrator_utils.o /build/reproducible-path/cp2k-8.1/src/motion/integrator_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod simpar_types.mod barostat_types.mod particle_types.mod molecule_kind_types.mod shell_potential_types.mod molecule_types.mod md_environment_types.mod cp_para_types.mod thermostat_types.mod virial_types.mod distribution_1d_types.mod cell_types.mod extended_system_types.mod constraint_util.mod message_passing.mod constraint.mod mathlib.mod kinds.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'barostat_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod simpar_types.mod cell_types.mod extended_system_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod machine.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' barostat_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'barostat_utils.mod' due to: barostat_utils.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod simpar_types.mod cell_types.mod extended_system_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod machine.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'shell_opt.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/shell_opt.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod gopt_f_types.mod particle_types.mod shell_potential_types.mod cp_para_types.mod atomic_kind_list_types.mod gopt_param_types.mod distribution_1d_types.mod global_types.mod force_env_types.mod cp_subsys_types.mod cg_optimizer.mod cp_log_handling.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod integrator_utils.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/shell_opt.F shell_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' shell_opt.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'shell_opt.mod' due to: shell_opt.o /build/reproducible-path/cp2k-8.1/src/motion/shell_opt.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod gopt_f_types.mod particle_types.mod shell_potential_types.mod cp_para_types.mod atomic_kind_list_types.mod gopt_param_types.mod distribution_1d_types.mod global_types.mod force_env_types.mod cp_subsys_types.mod cg_optimizer.mod cp_log_handling.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod integrator_utils.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_conserved_quantities.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_conserved_quantities.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod distribution_1d_types.mod md_ener_types.mod extended_system_types.mod force_env_types.mod md_environment_types.mod particle_types.mod qmmm_types_low.mod thermostat_types.mod input_section_types.mod particle_list_types.mod qmmmx_types.mod simpar_types.mod atomic_kind_list_types.mod cell_types.mod cp_subsys_types.mod qmmm_types.mod cp_para_types.mod kinds.mod thermostat_utils.mod message_passing.mod barostat_utils.mod base_hooks.mod mathconstants.mod physcon.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_conserved_quantities.F md_conserved_quantities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' md_conserved_quantities.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_conserved_quantities.mod' due to: md_conserved_quantities.o /build/reproducible-path/cp2k-8.1/src/motion/md_conserved_quantities.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod distribution_1d_types.mod md_ener_types.mod extended_system_types.mod force_env_types.mod md_environment_types.mod particle_types.mod qmmm_types_low.mod thermostat_types.mod input_section_types.mod particle_list_types.mod qmmmx_types.mod simpar_types.mod atomic_kind_list_types.mod cell_types.mod cp_subsys_types.mod qmmm_types.mod cp_para_types.mod kinds.mod thermostat_utils.mod message_passing.mod barostat_utils.mod base_hooks.mod mathconstants.mod physcon.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'reftraj_util.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/reftraj_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod molecule_kind_list_types.mod reftraj_types.mod particle_types.mod molecule_kind_types.mod molecule_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod force_env_types.mod cp_subsys_types.mod cp_log_handling.mod message_passing.mod util.mod cp_units.mod cp_parser_methods.mod machine.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod cp_files.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/reftraj_util.F reftraj_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' reftraj_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'reftraj_util.mod' due to: reftraj_util.o /build/reproducible-path/cp2k-8.1/src/motion/reftraj_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod molecule_kind_list_types.mod reftraj_types.mod particle_types.mod molecule_kind_types.mod molecule_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod distribution_1d_types.mod molecule_list_types.mod particle_list_types.mod force_env_types.mod cp_subsys_types.mod cp_log_handling.mod message_passing.mod util.mod cp_units.mod cp_parser_methods.mod machine.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod cp_files.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_energies.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_energies.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod barostat_types.mod md_ener_types.mod force_env_types.mod md_environment_types.mod thermostat_types.mod input_enumeration_types.mod input_section_types.mod particle_list_types.mod simpar_types.mod atomic_kind_list_types.mod thermal_region_types.mod cell_types.mod input_keyword_types.mod cp_subsys_types.mod qmmm_types.mod virial_types.mod averages_types.mod cp_para_types.mod reftraj_types.mod kinds.mod thermostat_utils.mod input_cp2k_md.mod barostat_utils.mod md_conserved_quantities.mod qs_linres_polar_utils.mod thermal_region_utils.mod motion_utils.mod cp_output_handling.mod base_hooks.mod machine.mod physcon.mod particle_methods.mod cp_log_handling.mod input_constants.mod cp_units.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_energies.F md_energies.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' md_energies.F90 -/build/reproducible-path/cp2k-8.1/src/motion/md_energies.F:362:46: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'metadynamics.o' due to: /build/reproducible-path/cp2k-8.1/src/metadynamics.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod metadynamics_types.mod colvar_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod metadynamics_utils.mod colvar_methods.mod message_passing.mod bibliography.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod reference_manager.mod input_constants.mod constraint_fxd.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/metadynamics.F metadynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' metadynamics.F90 +/build/reproducible-path/cp2k-8.1/src/metadynamics.F:603:22: - 362 | (simpar%v0 - cell%deth) - | ^ -Warning: 'pv_xx_nc' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_energies.mod' due to: md_energies.o /build/reproducible-path/cp2k-8.1/src/motion/md_energies.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod barostat_types.mod md_ener_types.mod force_env_types.mod md_environment_types.mod thermostat_types.mod input_enumeration_types.mod input_section_types.mod particle_list_types.mod simpar_types.mod atomic_kind_list_types.mod thermal_region_types.mod cell_types.mod input_keyword_types.mod cp_subsys_types.mod qmmm_types.mod virial_types.mod averages_types.mod cp_para_types.mod reftraj_types.mod kinds.mod thermostat_utils.mod input_cp2k_md.mod barostat_utils.mod md_conserved_quantities.mod qs_linres_polar_utils.mod thermal_region_utils.mod motion_utils.mod cp_output_handling.mod base_hooks.mod machine.mod physcon.mod particle_methods.mod cp_log_handling.mod input_constants.mod cp_units.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_util.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod md_environment_types.mod cp_para_types.mod md_energies.mod kinds.mod cp_files.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_cp2k_restarts.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_util.F md_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' md_util.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_util.mod' due to: md_util.o /build/reproducible-path/cp2k-8.1/src/motion/md_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod md_environment_types.mod cp_para_types.mod md_energies.mod kinds.mod cp_files.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_cp2k_restarts.mod + 603 | IF (scal*check_val > 0.0_dp) CYCLE + | ^ +Warning: 'check_val' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'metadynamics.mod' due to: metadynamics.o /build/reproducible-path/cp2k-8.1/src/metadynamics.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod metadynamics_types.mod colvar_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod metadynamics_utils.mod colvar_methods.mod message_passing.mod bibliography.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod reference_manager.mod input_constants.mod constraint_fxd.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qmmmx_update.o' due to: /build/reproducible-path/cp2k-8.1/src/qmmmx_update.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod qmmm_types.mod qmmmx_types.mod atomic_kind_list_types.mod distribution_1d_types.mod force_env_types.mod qmmmx_util.mod input_restart_force_eval.mod qmmm_create.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qmmmx_update.F qmmmx_update.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:43:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qmmmx_update.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qmmmx_update.mod' due to: qmmmx_update.o /build/reproducible-path/cp2k-8.1/src/qmmmx_update.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod qmmm_types.mod qmmmx_types.mod atomic_kind_list_types.mod distribution_1d_types.mod force_env_types.mod qmmmx_util.mod input_restart_force_eval.mod qmmm_create.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod rt_propagation_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_dftb_matrices.mod cp_fm_vect.mod orbital_pointers.mod qs_rho_methods.mod mathconstants.mod qs_overlap.mod qs_mo_io.mod kinds.mod base_hooks.mod qs_mo_methods.mod cp_dbcsr_operations.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_utils.F rt_propagation_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation_utils.mod' due to: rt_propagation_utils.o /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod rt_propagation_types.mod cp_para_types.mod qs_kind_types.mod qs_ks_types.mod cp_control_types.mod qs_rho_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_dftb_matrices.mod cp_fm_vect.mod orbital_pointers.mod qs_rho_methods.mod mathconstants.mod qs_overlap.mod qs_mo_io.mod kinds.mod base_hooks.mod qs_mo_methods.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ls_matrix_exp.o' due to: /build/reproducible-path/cp2k-8.1/src/ls_matrix_exp.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_log_handling.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ls_matrix_exp.o' due to: /build/reproducible-path/cp2k-8.1/src/ls_matrix_exp.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_log_handling.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ls_matrix_exp.F ls_matrix_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ls_matrix_exp.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ls_matrix_exp.mod' due to: ls_matrix_exp.o /build/reproducible-path/cp2k-8.1/src/ls_matrix_exp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_log_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ls_matrix_exp.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ls_matrix_exp.mod' due to: ls_matrix_exp.o /build/reproducible-path/cp2k-8.1/src/ls_matrix_exp.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_make_propagators.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_make_propagators.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_control_types.mod cp_fm_types.mod kinds.mod ls_matrix_exp.mod cp_dbcsr_operations.mod matrix_exp.mod base_hooks.mod input_constants.mod cp_fm_vect.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_make_propagators.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_make_propagators.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod rt_propagation_types.mod matrix_exp.mod kinds.mod cp_dbcsr_operations.mod ls_matrix_exp.mod cp_fm_vect.mod base_hooks.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/emd/rt_make_propagators.F rt_make_propagators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rt_make_propagators.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_make_propagators.mod' due to: rt_make_propagators.o /build/reproducible-path/cp2k-8.1/src/emd/rt_make_propagators.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_control_types.mod cp_fm_types.mod kinds.mod ls_matrix_exp.mod cp_dbcsr_operations.mod matrix_exp.mod base_hooks.mod input_constants.mod cp_fm_vect.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod rt_propagation_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_fm_basic_linalg.mod qs_rho_methods.mod qs_mo_methods.mod base_hooks.mod mathconstants.mod qs_mo_io.mod cp_log_handling.mod qs_overlap.mod input_constants.mod cp_fm_vect.mod qs_dftb_matrices.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_utils.F rt_propagation_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rt_propagation_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation_utils.mod' due to: rt_propagation_utils.o /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod rt_propagation_types.mod qs_kind_types.mod qs_rho_types.mod qs_ks_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_mo_types.mod cp_para_types.mod kinds.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_fm_basic_linalg.mod qs_rho_methods.mod qs_mo_methods.mod base_hooks.mod mathconstants.mod qs_mo_io.mod cp_log_handling.mod qs_overlap.mod input_constants.mod cp_fm_vect.mod qs_dftb_matrices.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_make_propagators.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_make_propagators.mod' due to: rt_make_propagators.o /build/reproducible-path/cp2k-8.1/src/emd/rt_make_propagators.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod rt_propagation_types.mod matrix_exp.mod kinds.mod cp_dbcsr_operations.mod ls_matrix_exp.mod cp_fm_vect.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation_output.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod rt_propagation_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cp_fm_types.mod pw_pool_types.mod pw_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod qs_linres_current.mod qs_scf_post_gpw.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_scf_post_tb.mod machine.mod qs_mo_io.mod pw_methods.mod cp_log_handling.mod input_constants.mod cp_gemm_interface.mod kahan_sum.mod cp_realspace_grid_cube.mod rt_propagation_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation_output.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_output.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod rt_propagation_types.mod pw_types.mod qs_kind_types.mod qs_subsys_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod rt_propagation_utils.mod message_passing.mod qs_scf_post_gpw.mod cp_realspace_grid_cube.mod kahan_sum.mod pw_methods.mod machine.mod cp_output_handling.mod qs_scf_post_tb.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod qs_linres_current.mod cp_dbcsr_operations.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_output.F rt_propagation_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rt_propagation_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation_output.F90 /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_output.F:726:18: 726 | stride = section_get_ivals(dft_section, "REAL_TIME_PROPAGATION%PRINT%CURRENT%STRIDE") | 1 Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation_output.mod' due to: rt_propagation_output.o /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_linres_types.mod rt_propagation_types.mod qs_subsys_types.mod pw_env_types.mod qs_kind_types.mod qs_rho_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cp_fm_types.mod pw_pool_types.mod pw_types.mod kinds.mod message_passing.mod cp_dbcsr_operations.mod qs_linres_current.mod qs_scf_post_gpw.mod cp_fm_basic_linalg.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod qs_scf_post_tb.mod machine.mod qs_mo_io.mod pw_methods.mod cp_log_handling.mod input_constants.mod cp_gemm_interface.mod kahan_sum.mod cp_realspace_grid_cube.mod rt_propagation_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation_output.mod' due to: rt_propagation_output.o /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_output.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod qs_linres_types.mod cp_fm_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod rt_propagation_types.mod pw_types.mod qs_kind_types.mod qs_subsys_types.mod cp_control_types.mod qs_rho_types.mod particle_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod rt_propagation_utils.mod message_passing.mod qs_scf_post_gpw.mod cp_realspace_grid_cube.mod kahan_sum.mod pw_methods.mod machine.mod cp_output_handling.mod qs_scf_post_tb.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod qs_linres_current.mod cp_dbcsr_operations.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod rt_propagation_types.mod cp_cfm_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod bibliography.mod iterate_matrix.mod cp_dbcsr_cholesky.mod cp_fm_struct.mod base_hooks.mod qs_energy_init.mod cp_log_handling.mod rt_make_propagators.mod input_constants.mod rt_propagation_output.mod qs_ks_methods.mod ls_matrix_exp.mod cp_fm_vect.mod mathlib.mod rt_propagation_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod rt_propagation_types.mod qs_energy_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod rt_propagation_utils.mod rt_make_propagators.mod qs_energy_init.mod ls_matrix_exp.mod cp_fm_vect.mod mathlib.mod bibliography.mod cp_fm_struct.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_cfm_basic_linalg.mod rt_propagation_output.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_methods.F rt_propagation_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rt_propagation_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation_methods.mod' due to: rt_propagation_methods.o /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod rt_propagation_types.mod cp_cfm_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_types.mod kinds.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod bibliography.mod iterate_matrix.mod cp_dbcsr_cholesky.mod cp_fm_struct.mod base_hooks.mod qs_energy_init.mod cp_log_handling.mod rt_make_propagators.mod input_constants.mod rt_propagation_output.mod qs_ks_methods.mod ls_matrix_exp.mod cp_fm_vect.mod mathlib.mod rt_propagation_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'extended_system_dynamics.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_types.mod shell_potential_types.mod particle_types.mod distribution_1d_types.mod extended_system_types.mod molecule_types.mod kinds.mod thermostat_utils.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' extended_system_dynamics.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'extended_system_dynamics.mod' due to: extended_system_dynamics.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_types.mod shell_potential_types.mod particle_types.mod distribution_1d_types.mod extended_system_types.mod molecule_types.mod kinds.mod thermostat_utils.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gopt_param_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/gopt_param_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/gopt_param_types.F gopt_param_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' gopt_param_types.F90 -/build/reproducible-path/cp2k-8.1/src/motion/gopt_param_types.F:167:31: - - 167 | SUBROUTINE gopt_param_retain(gopt_param) - | ^ -Warning: 'gopt_param_retain' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gopt_param_types.mod' due to: gopt_param_types.o /build/reproducible-path/cp2k-8.1/src/motion/gopt_param_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dimer_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/dimer_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod global_types.mod molecule_kind_list_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/dimer_types.F dimer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dimer_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dimer_types.mod' due to: dimer_types.o /build/reproducible-path/cp2k-8.1/src/motion/dimer_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod cell_types.mod global_types.mod molecule_kind_list_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation_methods.mod' due to: rt_propagation_methods.o /build/reproducible-path/cp2k-8.1/src/emd/rt_propagation_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod rt_propagation_types.mod qs_energy_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod rt_propagation_utils.mod rt_make_propagators.mod qs_energy_init.mod ls_matrix_exp.mod cp_fm_vect.mod mathlib.mod bibliography.mod cp_fm_struct.mod cp_dbcsr_cholesky.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_cfm_basic_linalg.mod rt_propagation_output.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cell_opt_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_para_types.mod cell_types.mod input_keyword_types.mod kinds.mod cp_files.mod input_cp2k_global.mod cp_units.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_utils.F cell_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cell_opt_utils.F90 -/build/reproducible-path/cp2k-8.1/src/motion/cell_opt_utils.F:146:47: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'integrator.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/integrator.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod atomic_kind_types.mod simpar_types.mod molecule_kind_list_types.mod barostat_types.mod thermal_region_types.mod reftraj_types.mod particle_types.mod rt_propagation_types.mod molecule_kind_types.mod molecule_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod thermostat_types.mod virial_types.mod distribution_1d_types.mod cp_control_types.mod molecule_list_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod extended_system_types.mod qs_environment_types.mod cp_log_handling.mod eigenvalueproblems.mod qmmmx_update.mod force_env_methods.mod constraint_util.mod constraint.mod cp_units.mod thermostat_methods.mod virial_methods.mod shell_opt.mod cp_parser_methods.mod mathlib.mod kinds.mod reftraj_util.mod base_hooks.mod extended_system_dynamics.mod physcon.mod metadynamics.mod qmmm_util.mod rt_propagation_methods.mod rt_propagation_output.mod integrator_utils.mod input_constants.mod constraint_fxd.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/integrator.F integrator.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:47:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' integrator.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_md_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_md_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod neb_types.mod particle_types.mod global_types.mod cp_units.mod kinds.mod base_hooks.mod input_constants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/neb_md_utils.F neb_md_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_md_utils.F90 +/build/reproducible-path/cp2k-8.1/src/motion/neb_md_utils.F:119:47: - 146 | new_logger%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cell_opt_utils.mod' due to: cell_opt_utils.o /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod cp_para_types.mod cell_types.mod input_keyword_types.mod kinds.mod cp_files.mod input_cp2k_global.mod cp_units.mod cp_log_handling.mod base_hooks.mod mathconstants.mod input_constants.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cell_opt_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod cell_types.mod force_env_types.mod kinds.mod cp_output_handling.mod cp_units.mod cell_opt_utils.mod cp_log_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_types.F cell_opt_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cell_opt_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cell_opt_types.mod' due to: cell_opt_types.o /build/reproducible-path/cp2k-8.1/src/motion/cell_opt_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod cell_types.mod force_env_types.mod kinds.mod cp_output_handling.mod cp_units.mod cell_opt_utils.mod cp_log_handling.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gopt_f_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod gopt_param_types.mod dimer_types.mod cell_opt_types.mod force_env_types.mod global_types.mod kinds.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_types.F gopt_f_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' gopt_f_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gopt_f_types.mod' due to: gopt_f_types.o /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod gopt_param_types.mod dimer_types.mod cell_opt_types.mod force_env_types.mod global_types.mod kinds.mod base_hooks.mod input_constants.mod + 119 | temp = 2.0_dp*akin/REAL(nvar, KIND=dp) + | ^ +Warning: 'nvar' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mdctrl_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mdctrl_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mdctrl_types.F mdctrl_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mdctrl_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mdctrl_types.mod' due to: mdctrl_types.o /build/reproducible-path/cp2k-8.1/src/mdctrl_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dimer_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/dimer_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod kinds.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/dimer_utils.F dimer_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dimer_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dimer_utils.mod' due to: dimer_utils.o /build/reproducible-path/cp2k-8.1/src/motion/dimer_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod kinds.mod cp_log_handling.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'barostat_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod simpar_types.mod cell_types.mod extended_system_types.mod kinds.mod cp_log_handling.mod base_hooks.mod machine.mod input_constants.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' barostat_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'barostat_utils.mod' due to: barostat_utils.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/barostat_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod simpar_types.mod cell_types.mod extended_system_types.mod kinds.mod cp_log_handling.mod base_hooks.mod machine.mod input_constants.mod physcon.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gopt_f_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 atomic_kind_types.mod gopt_param_types.mod distribution_1d_types.mod force_env_types.mod gopt_f_types.mod particle_types.mod input_section_types.mod particle_list_types.mod atomic_kind_list_types.mod dimer_types.mod cell_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod kinds.mod input_cp2k_restarts.mod motion_utils.mod qmmmx_util.mod dimer_utils.mod virial_methods.mod base_hooks.mod machine.mod qmmm_util.mod particle_methods.mod cp_log_handling.mod input_constants.mod cp_units.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_methods.F gopt_f_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' gopt_f_methods.F90 -/build/reproducible-path/cp2k-8.1/src/motion/gopt_f_methods.F:978:14: - - 978 | CPASSERT((SIZE(x) == idg + 6)) - | ^ -Warning: 'idg' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gopt_f_methods.mod' due to: gopt_f_methods.o /build/reproducible-path/cp2k-8.1/src/motion/gopt_f_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 atomic_kind_types.mod gopt_param_types.mod distribution_1d_types.mod force_env_types.mod gopt_f_types.mod particle_types.mod input_section_types.mod particle_list_types.mod atomic_kind_list_types.mod dimer_types.mod cell_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod kinds.mod input_cp2k_restarts.mod motion_utils.mod qmmmx_util.mod dimer_utils.mod virial_methods.mod base_hooks.mod machine.mod qmmm_util.mod particle_methods.mod cp_log_handling.mod input_constants.mod cp_units.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_thermostats.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_thermostats.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod input_cp2k_subsys.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_thermostats.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_thermostats.mod' due to: input_cp2k_thermostats.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_thermostats.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod input_cp2k_subsys.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cg_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cg_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 gopt_f_types.mod gopt_param_types.mod dimer_types.mod cp_para_types.mod global_types.mod kinds.mod cp_external_control.mod dimer_utils.mod memory_utilities.mod base_hooks.mod mathconstants.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cg_utils.F cg_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cg_utils.F90 -/build/reproducible-path/cp2k-8.1/src/motion/cg_utils.F:810:19: - - 810 | IF (ABS(d) .GT. ABS(0.5_dp*olde)) skip0 = .TRUE. - | ^ -Warning: 'e' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cg_utils.mod' due to: cg_utils.o /build/reproducible-path/cp2k-8.1/src/motion/cg_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 gopt_f_types.mod gopt_param_types.mod dimer_types.mod cp_para_types.mod global_types.mod kinds.mod cp_external_control.mod dimer_utils.mod memory_utilities.mod base_hooks.mod mathconstants.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_barostats.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod cp_output_handling.mod input_cp2k_thermostats.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_barostats.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_barostats.mod' due to: input_cp2k_barostats.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod cp_output_handling.mod input_cp2k_thermostats.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cg_optimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cg_optimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod gopt_f_types.mod gopt_param_types.mod cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod kinds.mod cp_external_control.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod gopt_f_methods.mod machine.mod cg_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cg_optimizer.F cg_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cg_optimizer.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cg_optimizer.mod' due to: cg_optimizer.o /build/reproducible-path/cp2k-8.1/src/motion/cg_optimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod gopt_f_types.mod gopt_param_types.mod cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod kinds.mod cp_external_control.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod gopt_f_methods.mod machine.mod cg_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_md.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_md.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod input_cp2k_barostats.mod base_hooks.mod input_constants.mod input_cp2k_thermostats.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_md.F input_cp2k_md.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_md.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_md.mod' due to: input_cp2k_md.o /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_md.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod input_cp2k_barostats.mod base_hooks.mod input_constants.mod input_cp2k_thermostats.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'integrator_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/integrator_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod barostat_types.mod shell_potential_types.mod distribution_1d_types.mod extended_system_types.mod md_environment_types.mod particle_types.mod thermostat_types.mod molecule_kind_types.mod simpar_types.mod cell_types.mod molecule_types.mod virial_types.mod cp_para_types.mod kinds.mod message_passing.mod constraint_util.mod base_hooks.mod constraint.mod input_constants.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/integrator_utils.F integrator_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' integrator_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'integrator_utils.mod' due to: integrator_utils.o /build/reproducible-path/cp2k-8.1/src/motion/integrator_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod barostat_types.mod shell_potential_types.mod distribution_1d_types.mod extended_system_types.mod md_environment_types.mod particle_types.mod thermostat_types.mod molecule_kind_types.mod simpar_types.mod cell_types.mod molecule_types.mod virial_types.mod cp_para_types.mod kinds.mod message_passing.mod constraint_util.mod base_hooks.mod constraint.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_conserved_quantities.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_conserved_quantities.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_subsys_types.mod atomic_kind_types.mod simpar_types.mod qmmm_types.mod md_ener_types.mod qmmm_types_low.mod particle_types.mod qmmmx_types.mod shell_potential_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod thermostat_types.mod distribution_1d_types.mod particle_list_types.mod force_env_types.mod cell_types.mod extended_system_types.mod barostat_utils.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod thermostat_utils.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_conserved_quantities.F md_conserved_quantities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_conserved_quantities.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_conserved_quantities.mod' due to: md_conserved_quantities.o /build/reproducible-path/cp2k-8.1/src/motion/md_conserved_quantities.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_subsys_types.mod atomic_kind_types.mod simpar_types.mod qmmm_types.mod md_ener_types.mod qmmm_types_low.mod particle_types.mod qmmmx_types.mod shell_potential_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod thermostat_types.mod distribution_1d_types.mod particle_list_types.mod force_env_types.mod cell_types.mod extended_system_types.mod barostat_utils.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod thermostat_utils.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'shell_opt.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/shell_opt.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod gopt_param_types.mod shell_potential_types.mod distribution_1d_types.mod force_env_types.mod gopt_f_types.mod particle_types.mod input_section_types.mod atomic_kind_list_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod cg_optimizer.mod cp_output_handling.mod base_hooks.mod integrator_utils.mod cp_log_handling.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/shell_opt.F shell_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' shell_opt.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'shell_opt.mod' due to: shell_opt.o /build/reproducible-path/cp2k-8.1/src/motion/shell_opt.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod gopt_param_types.mod shell_potential_types.mod distribution_1d_types.mod force_env_types.mod gopt_f_types.mod particle_types.mod input_section_types.mod atomic_kind_list_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod cg_optimizer.mod cp_output_handling.mod base_hooks.mod integrator_utils.mod cp_log_handling.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermal_region_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod thermal_region_types.mod particle_list_types.mod force_env_types.mod cp_subsys_types.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod input_constants.mod bibliography.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_utils.F thermal_region_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermal_region_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermal_region_utils.mod' due to: thermal_region_utils.o /build/reproducible-path/cp2k-8.1/src/motion/thermal_region_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod thermal_region_types.mod particle_list_types.mod force_env_types.mod cp_subsys_types.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod input_constants.mod bibliography.mod physcon.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'al_system_dynamics.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod al_system_types.mod molecule_kind_types.mod particle_types.mod distribution_1d_types.mod extended_system_types.mod force_env_types.mod kinds.mod thermostat_utils.mod base_hooks.mod constraint_fxd.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' al_system_dynamics.F90 -/build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F:290:46: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_energies.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_energies.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod averages_types.mod qmmm_types.mod barostat_types.mod md_ener_types.mod thermal_region_types.mod reftraj_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod input_keyword_types.mod thermostat_types.mod virial_types.mod input_enumeration_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod barostat_utils.mod input_cp2k_md.mod cp_log_handling.mod cp_units.mod motion_utils.mod md_conserved_quantities.mod particle_methods.mod machine.mod cp_output_handling.mod thermal_region_utils.mod kinds.mod base_hooks.mod qs_linres_polar_utils.mod physcon.mod thermostat_utils.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_energies.F md_energies.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_energies.F90 +/build/reproducible-path/cp2k-8.1/src/motion/md_energies.F:362:46: - 290 | map_info%v_scale(imap) = 1.0_dp + 362 | (simpar%v0 - cell%deth) | ^ -Warning: 'imap' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'al_system_dynamics.mod' due to: al_system_dynamics.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod al_system_types.mod molecule_kind_types.mod particle_types.mod distribution_1d_types.mod extended_system_types.mod force_env_types.mod kinds.mod thermostat_utils.mod base_hooks.mod constraint_fxd.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'al_system_mapping.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_mapping.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod al_system_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod distribution_1d_types.mod extended_system_types.mod thermostat_types.mod kinds.mod message_passing.mod base_hooks.mod thermostat_mapping.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:45 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' al_system_mapping.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'al_system_mapping.mod' due to: al_system_mapping.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_mapping.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod al_system_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod distribution_1d_types.mod extended_system_types.mod thermostat_types.mod kinds.mod message_passing.mod base_hooks.mod thermostat_mapping.mod input_constants.mod +Warning: 'pv_xx_nc' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_energies.mod' due to: md_energies.o /build/reproducible-path/cp2k-8.1/src/motion/md_energies.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod averages_types.mod qmmm_types.mod barostat_types.mod md_ener_types.mod thermal_region_types.mod reftraj_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod input_keyword_types.mod thermostat_types.mod virial_types.mod input_enumeration_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod barostat_utils.mod input_cp2k_md.mod cp_log_handling.mod cp_units.mod motion_utils.mod md_conserved_quantities.mod particle_methods.mod machine.mod cp_output_handling.mod thermal_region_utils.mod kinds.mod base_hooks.mod qs_linres_polar_utils.mod physcon.mod thermostat_utils.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'al_system_init.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod al_system_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod distribution_1d_types.mod molecule_types.mod thermostat_types.mod kinds.mod al_system_mapping.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_init.F al_system_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' al_system_init.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'al_system_init.mod' due to: al_system_init.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/al_system_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod al_system_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod distribution_1d_types.mod molecule_types.mod thermostat_types.mod kinds.mod al_system_mapping.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_util.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_util.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod md_environment_types.mod cp_para_types.mod input_cp2k_restarts.mod cp_files.mod md_energies.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_util.F md_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_util.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_util.mod' due to: md_util.o /build/reproducible-path/cp2k-8.1/src/motion/md_util.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod md_environment_types.mod cp_para_types.mod input_cp2k_restarts.mod cp_files.mod md_energies.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gle_system_dynamics.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod particle_types.mod distribution_1d_types.mod parallel_rng_types.mod extended_system_types.mod gle_system_types.mod thermostat_types.mod kinds.mod thermostat_utils.mod message_passing.mod base_hooks.mod thermostat_mapping.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' gle_system_dynamics.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'gle_system_dynamics.mod' due to: gle_system_dynamics.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod particle_types.mod distribution_1d_types.mod parallel_rng_types.mod extended_system_types.mod gle_system_types.mod thermostat_types.mod kinds.mod thermostat_utils.mod message_passing.mod base_hooks.mod thermostat_mapping.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'simpar_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/simpar_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod simpar_types.mod input_keyword_types.mod cp_units.mod kinds.mod input_cp2k_md.mod cp_log_handling.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/simpar_methods.F simpar_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' simpar_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'simpar_methods.mod' due to: simpar_methods.o /build/reproducible-path/cp2k-8.1/src/motion/simpar_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod simpar_types.mod input_keyword_types.mod cp_units.mod kinds.mod input_cp2k_md.mod cp_log_handling.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'csvr_system_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/csvr_system_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/csvr_system_utils.F csvr_system_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' csvr_system_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'csvr_system_utils.mod' due to: csvr_system_utils.o /build/reproducible-path/cp2k-8.1/src/csvr_system_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'integrator.mod' due to: integrator.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'csvr_system_dynamics.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod csvr_system_types.mod molecule_kind_types.mod particle_types.mod distribution_1d_types.mod parallel_rng_types.mod extended_system_types.mod molecule_types.mod kinds.mod thermostat_utils.mod base_hooks.mod csvr_system_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:49 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' csvr_system_dynamics.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'csvr_system_dynamics.mod' due to: csvr_system_dynamics.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod csvr_system_types.mod molecule_kind_types.mod particle_types.mod distribution_1d_types.mod parallel_rng_types.mod extended_system_types.mod molecule_types.mod kinds.mod thermostat_utils.mod base_hooks.mod csvr_system_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'velocity_verlet_control.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/velocity_verlet_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 simpar_types.mod md_environment_types.mod global_types.mod force_env_types.mod integrator.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/velocity_verlet_control.F velocity_verlet_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' velocity_verlet_control.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'velocity_verlet_control.mod' due to: velocity_verlet_control.o /build/reproducible-path/cp2k-8.1/src/motion/velocity_verlet_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 simpar_types.mod md_environment_types.mod global_types.mod force_env_types.mod integrator.mod base_hooks.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'csvr_system_mapping.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 csvr_system_types.mod molecule_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod distribution_1d_types.mod extended_system_types.mod thermostat_types.mod kinds.mod message_passing.mod base_hooks.mod thermostat_mapping.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' csvr_system_mapping.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'csvr_system_mapping.mod' due to: csvr_system_mapping.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 csvr_system_types.mod molecule_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod distribution_1d_types.mod extended_system_types.mod thermostat_types.mod kinds.mod message_passing.mod base_hooks.mod thermostat_mapping.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'statistical_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/statistical_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 global_types.mod kinds.mod cp_log_handling.mod base_hooks.mod util.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/statistical_methods.F statistical_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' statistical_methods.F90 +/build/reproducible-path/cp2k-8.1/src/statistical_methods.F:440:19: + + 440 | SUBROUTINE tests(xdata, globenv) + | ^ +Warning: 'tests' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'statistical_methods.mod' due to: statistical_methods.o /build/reproducible-path/cp2k-8.1/src/statistical_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 global_types.mod kinds.mod cp_log_handling.mod base_hooks.mod util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'csvr_system_init.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod csvr_system_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod distribution_1d_types.mod parallel_rng_types.mod molecule_types.mod thermostat_types.mod csvr_system_mapping.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' csvr_system_init.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'csvr_system_init.mod' due to: csvr_system_init.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/csvr_system_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod csvr_system_types.mod molecule_kind_types.mod simpar_types.mod cp_para_types.mod distribution_1d_types.mod parallel_rng_types.mod molecule_types.mod thermostat_types.mod csvr_system_mapping.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'free_energy_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/free_energy_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod free_energy_types.mod simpar_types.mod md_environment_types.mod force_env_types.mod cp_subsys_types.mod statistical_methods.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod input_constants.mod fparser.mod colvar_methods.mod mathlib.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/free_energy_methods.F free_energy_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' free_energy_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'free_energy_methods.mod' due to: free_energy_methods.o /build/reproducible-path/cp2k-8.1/src/motion/free_energy_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod free_energy_types.mod simpar_types.mod md_environment_types.mod force_env_types.mod cp_subsys_types.mod statistical_methods.mod memory_utilities.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod input_constants.mod fparser.mod colvar_methods.mod mathlib.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'thermostat_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod extended_system_types.mod force_env_types.mod molecule_list_types.mod particle_types.mod thermostat_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod simpar_types.mod cell_types.mod molecule_types.mod global_types.mod cp_subsys_types.mod qmmm_types.mod cp_para_types.mod kinds.mod thermostat_utils.mod al_system_dynamics.mod bibliography.mod al_system_init.mod cp_output_handling.mod extended_system_dynamics.mod base_hooks.mod gle_system_dynamics.mod csvr_system_dynamics.mod cp_log_handling.mod csvr_system_init.mod input_constants.mod cp_units.mod extended_system_init.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' thermostat_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'thermostat_methods.mod' due to: thermostat_methods.o /build/reproducible-path/cp2k-8.1/src/motion/thermostat/thermostat_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod extended_system_types.mod force_env_types.mod molecule_list_types.mod particle_types.mod thermostat_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod atomic_kind_list_types.mod simpar_types.mod cell_types.mod molecule_types.mod global_types.mod cp_subsys_types.mod qmmm_types.mod cp_para_types.mod kinds.mod thermostat_utils.mod al_system_dynamics.mod bibliography.mod al_system_init.mod cp_output_handling.mod extended_system_dynamics.mod base_hooks.mod gle_system_dynamics.mod csvr_system_dynamics.mod cp_log_handling.mod csvr_system_init.mod input_constants.mod cp_units.mod extended_system_init.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'wiener_process.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/wiener_process.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod metadynamics_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod parallel_rng_types.mod particle_list_types.mod force_env_types.mod cp_subsys_types.mod distribution_1d_types.mod kinds.mod string_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/wiener_process.F wiener_process.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' wiener_process.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'wiener_process.mod' due to: wiener_process.o /build/reproducible-path/cp2k-8.1/src/motion/wiener_process.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod metadynamics_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod parallel_rng_types.mod particle_list_types.mod force_env_types.mod cp_subsys_types.mod distribution_1d_types.mod kinds.mod string_utilities.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'metadynamics.o' due to: /build/reproducible-path/cp2k-8.1/src/metadynamics.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 colvar_types.mod force_env_types.mod metadynamics_types.mod input_section_types.mod particle_list_types.mod simpar_types.mod cell_types.mod cp_subsys_types.mod kinds.mod message_passing.mod reference_manager.mod colvar_methods.mod bibliography.mod cp_output_handling.mod metadynamics_utils.mod base_hooks.mod physcon.mod cp_log_handling.mod input_constants.mod constraint_fxd.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/metadynamics.F metadynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' metadynamics.F90 -/build/reproducible-path/cp2k-8.1/src/metadynamics.F:603:22: +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_vel_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_vel_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_subsys_types.mod atomic_kind_types.mod simpar_types.mod molecule_kind_list_types.mod md_ener_types.mod thermal_region_types.mod parallel_rng_types.mod particle_types.mod molecule_kind_types.mod input_val_types.mod shell_potential_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod extended_system_types.mod cp_log_handling.mod md_util.mod force_env_methods.mod cp_units.mod cp_linked_list_input.mod shell_opt.mod mathlib.mod bibliography.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod input_cp2k_binary_restarts.mod force_env_utils.mod input_restart_force_eval.mod physcon.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_vel_utils.F md_vel_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_vel_utils.F90 +/build/reproducible-path/cp2k-8.1/src/motion/md_vel_utils.F:706:24: - 603 | IF (scal*check_val > 0.0_dp) CYCLE - | ^ -Warning: 'check_val' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'metadynamics.mod' due to: metadynamics.o /build/reproducible-path/cp2k-8.1/src/metadynamics.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 colvar_types.mod force_env_types.mod metadynamics_types.mod input_section_types.mod particle_list_types.mod simpar_types.mod cell_types.mod cp_subsys_types.mod kinds.mod message_passing.mod reference_manager.mod colvar_methods.mod bibliography.mod cp_output_handling.mod metadynamics_utils.mod base_hooks.mod physcon.mod cp_log_handling.mod input_constants.mod constraint_fxd.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'integrator.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/integrator.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod rt_propagation_types.mod barostat_types.mod distribution_1d_types.mod extended_system_types.mod force_env_types.mod molecule_list_types.mod md_environment_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod thermostat_types.mod molecule_kind_list_types.mod particle_list_types.mod molecule_kind_types.mod simpar_types.mod atomic_kind_list_types.mod thermal_region_types.mod cell_types.mod molecule_types.mod global_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod reftraj_types.mod kinds.mod qmmmx_update.mod reftraj_util.mod force_env_methods.mod eigenvalueproblems.mod constraint_util.mod rt_propagation_methods.mod extended_system_dynamics.mod virial_methods.mod base_hooks.mod shell_opt.mod thermostat_methods.mod integrator_utils.mod physcon.mod qmmm_util.mod constraint.mod cp_log_handling.mod input_constants.mod constraint_fxd.mod rt_propagation_output.mod cp_parser_methods.mod cp_units.mod mathlib.mod metadynamics.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/integrator.F integrator.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:44:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' integrator.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'integrator.mod' due to: integrator.o /build/reproducible-path/cp2k-8.1/src/motion/integrator.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod rt_propagation_types.mod barostat_types.mod distribution_1d_types.mod extended_system_types.mod force_env_types.mod molecule_list_types.mod md_environment_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod thermostat_types.mod molecule_kind_list_types.mod particle_list_types.mod molecule_kind_types.mod simpar_types.mod atomic_kind_list_types.mod thermal_region_types.mod cell_types.mod molecule_types.mod global_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod reftraj_types.mod kinds.mod qmmmx_update.mod reftraj_util.mod force_env_methods.mod eigenvalueproblems.mod constraint_util.mod rt_propagation_methods.mod extended_system_dynamics.mod virial_methods.mod base_hooks.mod shell_opt.mod thermostat_methods.mod integrator_utils.mod physcon.mod qmmm_util.mod constraint.mod cp_log_handling.mod input_constants.mod constraint_fxd.mod rt_propagation_output.mod cp_parser_methods.mod cp_units.mod mathlib.mod metadynamics.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'velocity_verlet_control.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/velocity_verlet_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 md_environment_types.mod simpar_types.mod force_env_types.mod global_types.mod integrator.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/velocity_verlet_control.F velocity_verlet_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' velocity_verlet_control.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'velocity_verlet_control.mod' due to: velocity_verlet_control.o /build/reproducible-path/cp2k-8.1/src/motion/velocity_verlet_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 md_environment_types.mod simpar_types.mod force_env_types.mod global_types.mod integrator.mod base_hooks.mod input_constants.mod + 706 | rescale_regions, shellvel_explicit, shellvel_read + | ^ +Warning: 'rescale_regions' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_vel_utils.mod' due to: md_vel_utils.o /build/reproducible-path/cp2k-8.1/src/motion/md_vel_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_subsys_types.mod atomic_kind_types.mod simpar_types.mod molecule_kind_list_types.mod md_ener_types.mod thermal_region_types.mod parallel_rng_types.mod particle_types.mod molecule_kind_types.mod input_val_types.mod shell_potential_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod extended_system_types.mod cp_log_handling.mod md_util.mod force_env_methods.mod cp_units.mod cp_linked_list_input.mod shell_opt.mod mathlib.mod bibliography.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod input_cp2k_binary_restarts.mod force_env_utils.mod input_restart_force_eval.mod physcon.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'simpar_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/simpar_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod simpar_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_md.mod cp_units.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/simpar_methods.F simpar_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' simpar_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'simpar_methods.mod' due to: simpar_methods.o /build/reproducible-path/cp2k-8.1/src/motion/simpar_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_enumeration_types.mod input_section_types.mod simpar_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_md.mod cp_units.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_delta_pulse.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_delta_pulse.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod rt_propagation_types.mod qs_kind_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod qs_moments.mod commutator_rpnl.mod cp_dbcsr_cp2k_link.mod cp_cfm_diag.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_cfm_basic_linalg.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/emd/rt_delta_pulse.F rt_delta_pulse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_delta_pulse.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_delta_pulse.mod' due to: rt_delta_pulse.o /build/reproducible-path/cp2k-8.1/src/emd/rt_delta_pulse.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_cfm_types.mod qs_mo_types.mod particle_types.mod rt_propagation_types.mod qs_kind_types.mod cp_control_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod qs_moments.mod commutator_rpnl.mod cp_dbcsr_cp2k_link.mod cp_cfm_diag.mod mathconstants.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_cfm_basic_linalg.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagator_init.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_propagator_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_types.mod qs_mo_types.mod kinds.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod rt_propagation_methods.mod iterate_matrix.mod arnoldi_api.mod base_hooks.mod cp_log_handling.mod matrix_exp.mod rt_make_propagators.mod input_constants.mod cp_gemm_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagator_init.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_propagator_init.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod rt_propagation_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod rt_make_propagators.mod matrix_exp.mod cp_gemm_interface.mod kinds.mod base_hooks.mod arnoldi_api.mod rt_propagation_methods.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod cp_fm_diag.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/emd/rt_propagator_init.F rt_propagator_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rt_propagator_init.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagator_init.mod' due to: rt_propagator_init.o /build/reproducible-path/cp2k-8.1/src/emd/rt_propagator_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_types.mod qs_mo_types.mod kinds.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod rt_propagation_methods.mod iterate_matrix.mod arnoldi_api.mod base_hooks.mod cp_log_handling.mod matrix_exp.mod rt_make_propagators.mod input_constants.mod cp_gemm_interface.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagator_init.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagator_init.mod' due to: rt_propagator_init.o /build/reproducible-path/cp2k-8.1/src/emd/rt_propagator_init.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod rt_propagation_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod rt_make_propagators.mod matrix_exp.mod cp_gemm_interface.mod kinds.mod base_hooks.mod arnoldi_api.mod rt_propagation_methods.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_hfx_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_hfx_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod qs_neighbor_list_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_types.mod kinds.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_hfx_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_hfx_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_rho_types.mod rt_propagation_types.mod qs_neighbor_list_types.mod qs_ks_types.mod qs_environment_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_dbcsr_cp2k_link.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/emd/rt_hfx_utils.F rt_hfx_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rt_hfx_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_hfx_utils.mod' due to: rt_hfx_utils.o /build/reproducible-path/cp2k-8.1/src/emd/rt_hfx_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod qs_neighbor_list_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod qs_rho_types.mod kinds.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_delta_pulse.o' due to: /build/reproducible-path/cp2k-8.1/src/emd/rt_delta_pulse.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod qs_kind_types.mod cp_cfm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod kinds.mod commutator_rpnl.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_moments.mod cp_gemm_interface.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/emd/rt_delta_pulse.F rt_delta_pulse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rt_delta_pulse.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_delta_pulse.mod' due to: rt_delta_pulse.o /build/reproducible-path/cp2k-8.1/src/emd/rt_delta_pulse.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod qs_kind_types.mod cp_cfm_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_types.mod qs_mo_types.mod kinds.mod commutator_rpnl.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod qs_moments.mod cp_gemm_interface.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/emd/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_hfx_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_hfx_utils.mod' due to: rt_hfx_utils.o /build/reproducible-path/cp2k-8.1/src/emd/rt_hfx_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_rho_types.mod rt_propagation_types.mod qs_neighbor_list_types.mod qs_ks_types.mod qs_environment_types.mod kinds.mod cp_dbcsr_operations.mod base_hooks.mod cp_dbcsr_cp2k_link.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/rt_propagation.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod rt_propagation_types.mod pw_env_types.mod force_env_types.mod md_environment_types.mod cp_fm_pool_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod global_types.mod kinds.mod cp_external_control.mod rt_propagator_init.mod force_env_methods.mod input_cp2k_restarts.mod rt_propagation_utils.mod rt_propagation_methods.mod bibliography.mod efield_utils.mod qs_external_potential.mod cp_output_handling.mod base_hooks.mod rt_hfx_utils.mod machine.mod qs_energy_init.mod qs_matrix_pools.mod rt_delta_pulse.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod rt_propagation_output.mod qs_dftb_matrices.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'rt_propagation.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/rt_propagation.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod pw_env_types.mod rt_propagation_types.mod md_environment_types.mod cp_fm_pool_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod global_types.mod force_env_types.mod qs_environment_types.mod rt_delta_pulse.mod cp_log_handling.mod force_env_methods.mod qs_dftb_matrices.mod rt_propagation_utils.mod rt_propagator_init.mod qs_energy_init.mod rt_hfx_utils.mod bibliography.mod machine.mod cp_output_handling.mod input_cp2k_restarts.mod qs_external_potential.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_external_control.mod qs_matrix_pools.mod rt_propagation_methods.mod rt_propagation_output.mod input_constants.mod efield_utils.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/rt_propagation.F rt_propagation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' rt_propagation.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation.mod' due to: rt_propagation.o /build/reproducible-path/cp2k-8.1/src/motion/rt_propagation.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod rt_propagation_types.mod pw_env_types.mod force_env_types.mod md_environment_types.mod cp_fm_pool_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cp_fm_types.mod qs_mo_types.mod global_types.mod kinds.mod cp_external_control.mod rt_propagator_init.mod force_env_methods.mod input_cp2k_restarts.mod rt_propagation_utils.mod rt_propagation_methods.mod bibliography.mod efield_utils.mod qs_external_potential.mod cp_output_handling.mod base_hooks.mod rt_hfx_utils.mod machine.mod qs_energy_init.mod qs_matrix_pools.mod rt_delta_pulse.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod rt_propagation_output.mod qs_dftb_matrices.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'rt_propagation.mod' due to: rt_propagation.o /build/reproducible-path/cp2k-8.1/src/motion/rt_propagation.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod pw_env_types.mod rt_propagation_types.mod md_environment_types.mod cp_fm_pool_types.mod qs_ks_types.mod qs_energy_types.mod cp_control_types.mod global_types.mod force_env_types.mod qs_environment_types.mod rt_delta_pulse.mod cp_log_handling.mod force_env_methods.mod qs_dftb_matrices.mod rt_propagation_utils.mod rt_propagator_init.mod qs_energy_init.mod rt_hfx_utils.mod bibliography.mod machine.mod cp_output_handling.mod input_cp2k_restarts.mod qs_external_potential.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_external_control.mod qs_matrix_pools.mod rt_propagation_methods.mod rt_propagation_output.mod input_constants.mod efield_utils.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_callback.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/glbopt_callback.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mdctrl_types.mod cp_subsys_types.mod md_environment_types.mod md_ener_types.mod force_env_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_callback.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/glbopt_callback.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 md_ener_types.mod md_environment_types.mod force_env_types.mod mdctrl_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/glbopt_callback.F glbopt_callback.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' glbopt_callback.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_callback.mod' due to: glbopt_callback.o /build/reproducible-path/cp2k-8.1/src/motion/glbopt_callback.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mdctrl_types.mod cp_subsys_types.mod md_environment_types.mod md_ener_types.mod force_env_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_callback.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_callback.mod' due to: glbopt_callback.o /build/reproducible-path/cp2k-8.1/src/motion/glbopt_callback.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 md_ener_types.mod md_environment_types.mod force_env_types.mod mdctrl_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mdctrl_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mdctrl_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mdctrl_types.mod md_environment_types.mod glbopt_callback.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mdctrl_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mdctrl_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 md_environment_types.mod mdctrl_types.mod base_hooks.mod glbopt_callback.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mdctrl_methods.F mdctrl_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mdctrl_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mdctrl_methods.mod' due to: mdctrl_methods.o /build/reproducible-path/cp2k-8.1/src/motion/mdctrl_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mdctrl_types.mod md_environment_types.mod glbopt_callback.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_vel_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_vel_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod md_ener_types.mod extended_system_types.mod force_env_types.mod md_environment_types.mod particle_types.mod parallel_rng_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod simpar_types.mod atomic_kind_list_types.mod thermal_region_types.mod cell_types.mod input_val_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod input_restart_force_eval.mod force_env_methods.mod force_env_utils.mod cp_linked_list_input.mod bibliography.mod cp_output_handling.mod md_util.mod base_hooks.mod mathconstants.mod shell_opt.mod physcon.mod cp_log_handling.mod input_constants.mod cp_units.mod input_cp2k_binary_restarts.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_vel_utils.F md_vel_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' md_vel_utils.F90 -/build/reproducible-path/cp2k-8.1/src/motion/md_vel_utils.F:706:24: - - 706 | rescale_regions, shellvel_explicit, shellvel_read - | ^ -Warning: 'rescale_regions' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_vel_utils.mod' due to: md_vel_utils.o /build/reproducible-path/cp2k-8.1/src/motion/md_vel_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod md_ener_types.mod extended_system_types.mod force_env_types.mod md_environment_types.mod particle_types.mod parallel_rng_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod simpar_types.mod atomic_kind_list_types.mod thermal_region_types.mod cell_types.mod input_val_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod input_restart_force_eval.mod force_env_methods.mod force_env_utils.mod cp_linked_list_input.mod bibliography.mod cp_output_handling.mod md_util.mod base_hooks.mod mathconstants.mod shell_opt.mod physcon.mod cp_log_handling.mod input_constants.mod cp_units.mod input_cp2k_binary_restarts.mod mathlib.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mdctrl_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mdctrl_methods.mod' due to: mdctrl_methods.o /build/reproducible-path/cp2k-8.1/src/motion/mdctrl_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 md_environment_types.mod mdctrl_types.mod base_hooks.mod glbopt_callback.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_run.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_run.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod distribution_1d_types.mod md_ener_types.mod force_env_types.mod mdctrl_types.mod md_environment_types.mod metadynamics_types.mod thermostat_types.mod input_section_types.mod particle_list_types.mod simpar_types.mod atomic_kind_list_types.mod thermal_region_types.mod cell_types.mod global_types.mod free_energy_types.mod cp_subsys_types.mod virial_types.mod averages_types.mod cp_para_types.mod reftraj_types.mod kinds.mod cp_external_control.mod reftraj_util.mod free_energy_methods.mod force_env_methods.mod wiener_process.mod thermal_region_utils.mod cp_output_handling.mod md_util.mod velocity_verlet_control.mod virial_methods.mod base_hooks.mod input_cp2k_check.mod thermostat_methods.mod machine.mod md_energies.mod simpar_methods.mod cp_log_handling.mod rt_propagation.mod qs_environment_methods.mod input_constants.mod mdctrl_methods.mod md_vel_utils.mod metadynamics.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'md_run.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/md_run.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_subsys_types.mod simpar_types.mod averages_types.mod barostat_types.mod md_ener_types.mod reftraj_types.mod thermal_region_types.mod metadynamics_types.mod free_energy_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod thermostat_types.mod virial_types.mod distribution_1d_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod mdctrl_types.mod cp_log_handling.mod md_util.mod force_env_methods.mod qs_environment_methods.mod simpar_methods.mod md_energies.mod thermostat_methods.mod virial_methods.mod velocity_verlet_control.mod cp_output_handling.mod machine.mod thermal_region_utils.mod free_energy_methods.mod wiener_process.mod kinds.mod reftraj_util.mod md_vel_utils.mod base_hooks.mod rt_propagation.mod cp_external_control.mod metadynamics.mod input_constants.mod mdctrl_methods.mod input_cp2k_check.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/md_run.F md_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' md_run.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_run.mod' due to: md_run.o /build/reproducible-path/cp2k-8.1/src/motion/md_run.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod distribution_1d_types.mod md_ener_types.mod force_env_types.mod mdctrl_types.mod md_environment_types.mod metadynamics_types.mod thermostat_types.mod input_section_types.mod particle_list_types.mod simpar_types.mod atomic_kind_list_types.mod thermal_region_types.mod cell_types.mod global_types.mod free_energy_types.mod cp_subsys_types.mod virial_types.mod averages_types.mod cp_para_types.mod reftraj_types.mod kinds.mod cp_external_control.mod reftraj_util.mod free_energy_methods.mod force_env_methods.mod wiener_process.mod thermal_region_utils.mod cp_output_handling.mod md_util.mod velocity_verlet_control.mod virial_methods.mod base_hooks.mod input_cp2k_check.mod thermostat_methods.mod machine.mod md_energies.mod simpar_methods.mod cp_log_handling.mod rt_propagation.mod qs_environment_methods.mod input_constants.mod mdctrl_methods.mod md_vel_utils.mod metadynamics.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_run.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'md_run.mod' due to: md_run.o /build/reproducible-path/cp2k-8.1/src/motion/md_run.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_subsys_types.mod simpar_types.mod averages_types.mod barostat_types.mod md_ener_types.mod reftraj_types.mod thermal_region_types.mod metadynamics_types.mod free_energy_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod thermostat_types.mod virial_types.mod distribution_1d_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod mdctrl_types.mod cp_log_handling.mod md_util.mod force_env_methods.mod qs_environment_methods.mod simpar_methods.mod md_energies.mod thermostat_methods.mod virial_methods.mod velocity_verlet_control.mod cp_output_handling.mod machine.mod thermal_region_utils.mod free_energy_methods.mod wiener_process.mod kinds.mod reftraj_util.mod md_vel_utils.mod base_hooks.mod rt_propagation.mod cp_external_control.mod metadynamics.mod input_constants.mod mdctrl_methods.mod input_cp2k_check.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'replica_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/replica_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod cp_para_types.mod cp_control_types.mod qs_environment_types.mod force_env_types.mod cp_result_types.mod qs_wf_history_types.mod replica_types.mod kinds.mod qs_wf_history_methods.mod cp_files.mod cp_para_env.mod message_passing.mod cp_output_handling.mod f77_interface.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'replica_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/replica_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod replica_types.mod qs_wf_history_types.mod force_env_types.mod cp_subsys_types.mod cp_result_types.mod cp_para_env.mod qs_wf_history_methods.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod f77_interface.mod message_passing.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/replica_methods.F replica_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' replica_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'replica_methods.mod' due to: replica_methods.o /build/reproducible-path/cp2k-8.1/src/replica_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod cp_para_types.mod cp_control_types.mod qs_environment_types.mod force_env_types.mod cp_result_types.mod qs_wf_history_types.mod replica_types.mod kinds.mod qs_wf_history_methods.mod cp_files.mod cp_para_env.mod message_passing.mod cp_output_handling.mod f77_interface.mod cp_log_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' replica_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'replica_methods.mod' due to: replica_methods.o /build/reproducible-path/cp2k-8.1/src/replica_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod replica_types.mod qs_wf_history_types.mod force_env_types.mod cp_subsys_types.mod cp_result_types.mod cp_para_env.mod qs_wf_history_methods.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod f77_interface.mod message_passing.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_lbfgs.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod bibliography.mod cp_files.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'bfgs_optimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/bfgs_optimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod atomic_kind_types.mod gopt_f_types.mod cp_fm_types.mod cp_para_types.mod atomic_kind_list_types.mod gopt_param_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod gopt_f_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod cp_blacs_env.mod cp_output_handling.mod machine.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_external_control.mod cp_files.mod input_constants.mod constraint_fxd.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/bfgs_optimizer.F bfgs_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' bfgs_optimizer.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'bfgs_optimizer.mod' due to: bfgs_optimizer.o /build/reproducible-path/cp2k-8.1/src/motion/bfgs_optimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod atomic_kind_types.mod gopt_f_types.mod cp_fm_types.mod cp_para_types.mod atomic_kind_list_types.mod gopt_param_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod gopt_f_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod cp_blacs_env.mod cp_output_handling.mod machine.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_external_control.mod cp_files.mod input_constants.mod constraint_fxd.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_lbfgs.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_files.mod kinds.mod base_hooks.mod bibliography.mod machine.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs.F cp_lbfgs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_lbfgs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_lbfgs.F90 /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs.F:1223:62: 1223 | tu, wmc, wmp, wmw, zibp @@ -47860,11 +47883,11 @@ 1308 | t(nbreak) = tl/(-neggi) | ^ Warning: 'tl' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_lbfgs.mod' due to: cp_lbfgs.o /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod bibliography.mod cp_files.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_lbfgs.mod' due to: cp_lbfgs.o /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_files.mod kinds.mod base_hooks.mod bibliography.mod machine.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_lbfgs_optimizer_gopt.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod gopt_f_types.mod gopt_param_types.mod cp_para_types.mod force_env_types.mod cp_lbfgs.mod kinds.mod cp_para_env.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod machine.mod gopt_f_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_lbfgs_optimizer_gopt.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod cp_para_types.mod force_env_types.mod gopt_param_types.mod gopt_f_types.mod cp_para_env.mod gopt_f_methods.mod cp_lbfgs.mod kinds.mod cp_log_handling.mod base_hooks.mod machine.mod message_passing.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F cp_lbfgs_optimizer_gopt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_lbfgs_optimizer_gopt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_lbfgs_optimizer_gopt.F90 /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F:302:32: 302 | SUBROUTINE cp_opt_gopt_retain(optimizer) @@ -47875,26 +47898,38 @@ 398 | SUBROUTINE cp_opt_gopt_get(optimizer, para_env, & | ^ Warning: 'cp_opt_gopt_get' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_lbfgs_optimizer_gopt.mod' due to: cp_lbfgs_optimizer_gopt.o /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod gopt_f_types.mod gopt_param_types.mod cp_para_types.mod force_env_types.mod cp_lbfgs.mod kinds.mod cp_para_env.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod machine.mod gopt_f_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_lbfgs_optimizer_gopt.mod' due to: cp_lbfgs_optimizer_gopt.o /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 input_section_types.mod cp_para_types.mod force_env_types.mod gopt_param_types.mod gopt_f_types.mod cp_para_env.mod gopt_f_methods.mod cp_lbfgs.mod kinds.mod cp_log_handling.mod base_hooks.mod machine.mod message_passing.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_lbfgs_geo.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_geo.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod gopt_f_types.mod gopt_param_types.mod cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod kinds.mod cp_lbfgs_optimizer_gopt.mod cp_external_control.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod gopt_f_methods.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp_lbfgs_geo.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_geo.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod global_types.mod force_env_types.mod cell_types.mod gopt_param_types.mod gopt_f_types.mod gopt_f_methods.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_lbfgs_optimizer_gopt.mod cp_external_control.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_geo.F cp_lbfgs_geo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp_lbfgs_geo.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_lbfgs_geo.mod' due to: cp_lbfgs_geo.o /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_geo.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod gopt_f_types.mod gopt_param_types.mod cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod kinds.mod cp_lbfgs_optimizer_gopt.mod cp_external_control.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod gopt_f_methods.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'bfgs_optimizer.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/bfgs_optimizer.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 atomic_kind_types.mod gopt_param_types.mod force_env_types.mod gopt_f_types.mod input_section_types.mod particle_list_types.mod atomic_kind_list_types.mod cell_types.mod cp_fm_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_external_control.mod cp_fm_diag.mod cp_fm_basic_linalg.mod cp_files.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod machine.mod cp_log_handling.mod input_constants.mod constraint_fxd.mod cp_gemm_interface.mod gopt_f_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/bfgs_optimizer.F bfgs_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' bfgs_optimizer.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'bfgs_optimizer.mod' due to: bfgs_optimizer.o /build/reproducible-path/cp2k-8.1/src/motion/bfgs_optimizer.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.f90 atomic_kind_types.mod gopt_param_types.mod force_env_types.mod gopt_f_types.mod input_section_types.mod particle_list_types.mod atomic_kind_list_types.mod cell_types.mod cp_fm_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod cp_external_control.mod cp_fm_diag.mod cp_fm_basic_linalg.mod cp_files.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod machine.mod cp_log_handling.mod input_constants.mod constraint_fxd.mod cp_gemm_interface.mod gopt_f_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_lbfgs_geo.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp_lbfgs_geo.mod' due to: cp_lbfgs_geo.o /build/reproducible-path/cp2k-8.1/src/motion/cp_lbfgs_geo.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod global_types.mod force_env_types.mod cell_types.mod gopt_param_types.mod gopt_f_types.mod gopt_f_methods.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_lbfgs_optimizer_gopt.mod cp_external_control.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'geo_opt.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/geo_opt.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod gopt_f_types.mod gopt_param_types.mod force_env_types.mod global_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod cg_optimizer.mod gopt_f_methods.mod cp_lbfgs_geo.mod bfgs_optimizer.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'geo_opt.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/geo_opt.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod global_types.mod force_env_types.mod gopt_param_types.mod gopt_f_types.mod cg_optimizer.mod bfgs_optimizer.mod gopt_f_methods.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_lbfgs_geo.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/geo_opt.F geo_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:45:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' geo_opt.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'geo_opt.mod' due to: geo_opt.o /build/reproducible-path/cp2k-8.1/src/motion/geo_opt.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod gopt_f_types.mod gopt_param_types.mod force_env_types.mod global_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod cg_optimizer.mod gopt_f_methods.mod cp_lbfgs_geo.mod bfgs_optimizer.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' geo_opt.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'geo_opt.mod' due to: geo_opt.o /build/reproducible-path/cp2k-8.1/src/motion/geo_opt.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod global_types.mod force_env_types.mod gopt_param_types.mod gopt_f_types.mod cg_optimizer.mod bfgs_optimizer.mod gopt_f_methods.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_lbfgs_geo.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_md_utils.mod' due to: neb_md_utils.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_neb.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_neb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod input_cp2k_thermostats.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_neb.F input_cp2k_neb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_neb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_neb.mod' due to: input_cp2k_neb.o /build/reproducible-path/cp2k-8.1/src/input_cp2k_neb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod input_cp2k_thermostats.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_io.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod input_keyword_types.mod input_enumeration_types.mod neb_types.mod replica_types.mod force_env_types.mod cell_types.mod header.mod cp_log_handling.mod cp_units.mod input_cp2k_neb.mod cp2k_info.mod particle_methods.mod machine.mod cp_output_handling.mod input_cp2k_restarts.mod kinds.mod base_hooks.mod f77_interface.mod physcon.mod neb_md_utils.mod cp_files.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/neb_io.F neb_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_io.F90 +/build/reproducible-path/cp2k-8.1/src/motion/neb_io.F:426:55: + + 426 | logger%iter_info%project_name = replica_proj_name + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_io.mod' due to: neb_io.o /build/reproducible-path/cp2k-8.1/src/motion/neb_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod input_keyword_types.mod input_enumeration_types.mod neb_types.mod replica_types.mod force_env_types.mod cell_types.mod header.mod cp_log_handling.mod cp_units.mod input_cp2k_neb.mod cp2k_info.mod particle_methods.mod machine.mod cp_output_handling.mod input_cp2k_restarts.mod kinds.mod base_hooks.mod f77_interface.mod physcon.mod neb_md_utils.mod cp_files.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod replica_types.mod particle_types.mod input_section_types.mod global_types.mod neb_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod force_env_methods.mod bibliography.mod cp_output_handling.mod base_hooks.mod neb_md_utils.mod input_cp2k_check.mod physcon.mod rmsd.mod f77_interface.mod cp_log_handling.mod neb_io.mod input_constants.mod md_run.mod replica_methods.mod cp_parser_methods.mod colvar_utils.mod geo_opt.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod cp_para_types.mod neb_types.mod replica_types.mod cp_parser_types.mod global_types.mod force_env_types.mod md_run.mod cp_log_handling.mod force_env_methods.mod replica_methods.mod rmsd.mod geo_opt.mod cp_parser_methods.mod mathlib.mod bibliography.mod cp_output_handling.mod kinds.mod colvar_utils.mod base_hooks.mod f77_interface.mod physcon.mod neb_md_utils.mod neb_io.mod input_constants.mod input_cp2k_check.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/neb_utils.F neb_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' neb_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_utils.F90 /build/reproducible-path/cp2k-8.1/src/motion/neb_utils.F:482:64: 482 | forces%wrk(:, SIZE(forces%wrk, 2)) = tmp_b ! Image B @@ -47905,14 +47940,14 @@ 379 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: tangent, tmp_a, tmp_b | ^ Warning: 'tmp_a.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_utils.mod' due to: neb_utils.o /build/reproducible-path/cp2k-8.1/src/motion/neb_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod replica_types.mod particle_types.mod input_section_types.mod global_types.mod neb_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod force_env_methods.mod bibliography.mod cp_output_handling.mod base_hooks.mod neb_md_utils.mod input_cp2k_check.mod physcon.mod rmsd.mod f77_interface.mod cp_log_handling.mod neb_io.mod input_constants.mod md_run.mod replica_methods.mod cp_parser_methods.mod colvar_utils.mod geo_opt.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_utils.mod' due to: neb_utils.o /build/reproducible-path/cp2k-8.1/src/motion/neb_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod cp_para_types.mod neb_types.mod replica_types.mod cp_parser_types.mod global_types.mod force_env_types.mod md_run.mod cp_log_handling.mod force_env_methods.mod replica_methods.mod rmsd.mod geo_opt.mod cp_parser_methods.mod mathlib.mod bibliography.mod cp_output_handling.mod kinds.mod colvar_utils.mod base_hooks.mod f77_interface.mod physcon.mod neb_md_utils.mod neb_io.mod input_constants.mod input_cp2k_check.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_opt_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_opt_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 neb_types.mod input_section_types.mod particle_types.mod replica_types.mod kinds.mod neb_utils.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_opt_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_opt_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod neb_types.mod replica_types.mod particle_types.mod neb_utils.mod kinds.mod cp_log_handling.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/neb_opt_utils.F neb_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' neb_opt_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_public.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_public.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_opt_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_public.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_public.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_public.F pint_public.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_public.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_public.F90 /build/reproducible-path/cp2k-8.1/src/motion/pint_public.F:80:3: 80 | FUNCTION pint_cog_pos(pint_env) RESULT(cntrd_r) @@ -47925,9 +47960,23 @@ Warning: 'pint_free_part_bead_x' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_public.mod' due to: pint_public.o /build/reproducible-path/cp2k-8.1/src/motion/pint_public.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_common.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_common.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod splines_types.mod kinds.mod memory_utilities.mod pint_public.mod base_hooks.mod mathconstants.mod input_constants.mod splines_methods.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_io.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_units.mod pint_transformations.mod kinds.mod cp_log_handling.mod base_hooks.mod machine.mod input_constants.mod pint_public.mod f77_interface.mod particle_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_io.F pint_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_io.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dimer_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/dimer_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod gopt_f_types.mod particle_list_types.mod force_env_types.mod cp_subsys_types.mod kinds.mod cp_log_handling.mod base_hooks.mod dimer_utils.mod force_env_methods.mod input_constants.mod geo_opt.mod motion_utils.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/dimer_methods.F dimer_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dimer_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dimer_methods.mod' due to: dimer_methods.o /build/reproducible-path/cp2k-8.1/src/motion/dimer_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod gopt_f_types.mod particle_list_types.mod force_env_types.mod cp_subsys_types.mod kinds.mod cp_log_handling.mod base_hooks.mod dimer_utils.mod force_env_methods.mod input_constants.mod geo_opt.mod motion_utils.mod bibliography.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gopt_f77_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod averages_types.mod gopt_f_types.mod cp_para_types.mod virial_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod gopt_f_methods.mod md_run.mod cp_log_handling.mod force_env_methods.mod message_passing.mod virial_methods.mod geo_opt.mod bibliography.mod particle_methods.mod kinds.mod base_hooks.mod dimer_methods.mod input_constants.mod cell_opt_utils.mod cell_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.F gopt_f77_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gopt_f77_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cell_opt.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cell_opt.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod global_types.mod force_env_types.mod gopt_param_types.mod gopt_f_types.mod cg_optimizer.mod bfgs_optimizer.mod gopt_f_methods.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_lbfgs_geo.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cell_opt.F cell_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cell_opt.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_common.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_common.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod pint_types.mod helium_types.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod input_constants.mod splines_methods.mod pint_public.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/helium_common.F helium_common.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' helium_common.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_common.F90 /build/reproducible-path/cp2k-8.1/src/motion/helium_common.F:1468:3: 1468 | FUNCTION helium_bead_rij(helium, ia, ib, ja, jb) RESULT(rij) @@ -47983,66 +48032,71 @@ 354 | DEALLOCATE (used_indices) | ^ Warning: 'used_indices.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_common.mod' due to: helium_common.o /build/reproducible-path/cp2k-8.1/src/motion/helium_common.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod splines_types.mod kinds.mod memory_utilities.mod pint_public.mod base_hooks.mod mathconstants.mod input_constants.mod splines_methods.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_common.mod' due to: helium_common.o /build/reproducible-path/cp2k-8.1/src/motion/helium_common.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod pint_types.mod helium_types.mod mathconstants.mod memory_utilities.mod kinds.mod base_hooks.mod input_constants.mod splines_methods.mod pint_public.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_interactions.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_interactions.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod splines_types.mod kinds.mod helium_common.mod base_hooks.mod input_constants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_interactions.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_interactions.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod pint_types.mod helium_types.mod helium_common.mod kinds.mod base_hooks.mod input_constants.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/helium_interactions.F helium_interactions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' helium_interactions.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_interactions.mod' due to: helium_interactions.o +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_interactions.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_interactions.mod' due to: helium_interactions.o /build/reproducible-path/cp2k-8.1/src/motion/helium_interactions.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod pint_types.mod helium_types.mod helium_common.mod kinds.mod base_hooks.mod input_constants.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_io.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod helium_types.mod cell_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod message_passing.mod helium_common.mod cp_output_handling.mod base_hooks.mod helium_interactions.mod machine.mod physcon.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_parser_methods.mod cp_units.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_io.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod helium_types.mod pint_types.mod cp_parser_types.mod cell_types.mod cp_log_handling.mod message_passing.mod cp_units.mod cp_parser_methods.mod machine.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod physcon.mod helium_common.mod input_constants.mod helium_interactions.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/helium_io.F helium_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' helium_io.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_io.mod' due to: helium_io.o /build/reproducible-path/cp2k-8.1/src/motion/helium_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod helium_types.mod cell_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod message_passing.mod helium_common.mod cp_output_handling.mod base_hooks.mod helium_interactions.mod machine.mod physcon.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_parser_methods.mod cp_units.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_io.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod pint_types.mod cell_types.mod force_env_types.mod kinds.mod particle_methods.mod cp_units.mod cp_output_handling.mod f77_interface.mod cp_log_handling.mod pint_public.mod pint_transformations.mod base_hooks.mod machine.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_io.F pint_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_io.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_io.mod' due to: pint_io.o /build/reproducible-path/cp2k-8.1/src/motion/pint_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod pint_types.mod cell_types.mod force_env_types.mod kinds.mod particle_methods.mod cp_units.mod cp_output_handling.mod f77_interface.mod cp_log_handling.mod pint_public.mod pint_transformations.mod base_hooks.mod machine.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_piglet.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_piglet.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod cp_para_types.mod parallel_rng_types.mod kinds.mod cp_files.mod message_passing.mod cp_units.mod base_hooks.mod input_constants.mod pint_io.mod gle_system_dynamics.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_piglet.F pint_piglet.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:24 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_piglet.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_piglet.mod' due to: pint_piglet.o /build/reproducible-path/cp2k-8.1/src/motion/pint_piglet.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod cp_para_types.mod parallel_rng_types.mod kinds.mod cp_files.mod message_passing.mod cp_units.mod base_hooks.mod input_constants.mod pint_io.mod gle_system_dynamics.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_qtb.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_qtb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod cp_para_types.mod parallel_rng_types.mod kinds.mod cp_files.mod message_passing.mod fft_lib.mod cp_output_handling.mod cp_log_handling.mod fft_tools.mod base_hooks.mod fft_plan.mod mathconstants.mod input_constants.mod pint_io.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_qtb.F pint_qtb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:27 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_qtb.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_qtb.mod' due to: pint_qtb.o /build/reproducible-path/cp2k-8.1/src/motion/pint_qtb.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod cp_para_types.mod parallel_rng_types.mod kinds.mod cp_files.mod message_passing.mod fft_lib.mod cp_output_handling.mod cp_log_handling.mod fft_tools.mod base_hooks.mod fft_plan.mod mathconstants.mod input_constants.mod pint_io.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_pile.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_pile.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod parallel_rng_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_pile.F pint_pile.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_pile.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_pile.mod' due to: pint_pile.o /build/reproducible-path/cp2k-8.1/src/motion/pint_pile.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod parallel_rng_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:48:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_io.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_io.mod' due to: helium_io.o /build/reproducible-path/cp2k-8.1/src/motion/helium_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod helium_types.mod pint_types.mod cp_parser_types.mod cell_types.mod cp_log_handling.mod message_passing.mod cp_units.mod cp_parser_methods.mod machine.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod physcon.mod helium_common.mod input_constants.mod helium_interactions.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_worm.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_worm.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod kinds.mod helium_io.mod helium_common.mod base_hooks.mod mathconstants.mod helium_interactions.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_worm.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_worm.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod mathconstants.mod helium_common.mod kinds.mod helium_io.mod input_constants.mod base_hooks.mod helium_interactions.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/helium_worm.F helium_worm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' helium_worm.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_worm.mod' due to: helium_worm.o /build/reproducible-path/cp2k-8.1/src/motion/helium_worm.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod kinds.mod helium_io.mod helium_common.mod base_hooks.mod mathconstants.mod helium_interactions.mod input_constants.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_worm.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_worm.mod' due to: helium_worm.o /build/reproducible-path/cp2k-8.1/src/motion/helium_worm.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod mathconstants.mod helium_common.mod kinds.mod helium_io.mod input_constants.mod base_hooks.mod helium_interactions.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_sampling.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_sampling.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod splines_types.mod global_types.mod kinds.mod message_passing.mod cp_external_control.mod helium_common.mod input_cp2k_restarts.mod helium_io.mod helium_worm.mod cp_output_handling.mod base_hooks.mod helium_interactions.mod machine.mod physcon.mod cp_log_handling.mod input_constants.mod pint_public.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_sampling.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_sampling.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod helium_types.mod pint_types.mod global_types.mod cp_log_handling.mod message_passing.mod helium_worm.mod machine.mod cp_output_handling.mod input_cp2k_restarts.mod kinds.mod base_hooks.mod helium_io.mod physcon.mod cp_external_control.mod helium_common.mod input_constants.mod pint_public.mod helium_interactions.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/helium_sampling.F helium_sampling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' helium_sampling.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_sampling.mod' due to: helium_sampling.o /build/reproducible-path/cp2k-8.1/src/motion/helium_sampling.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod splines_types.mod global_types.mod kinds.mod message_passing.mod cp_external_control.mod helium_common.mod input_cp2k_restarts.mod helium_io.mod helium_worm.mod cp_output_handling.mod base_hooks.mod helium_interactions.mod machine.mod physcon.mod cp_log_handling.mod input_constants.mod pint_public.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_sampling.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_sampling.mod' due to: helium_sampling.o /build/reproducible-path/cp2k-8.1/src/motion/helium_sampling.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 splines_types.mod helium_types.mod pint_types.mod global_types.mod cp_log_handling.mod message_passing.mod helium_worm.mod machine.mod cp_output_handling.mod input_cp2k_restarts.mod kinds.mod base_hooks.mod helium_io.mod physcon.mod cp_external_control.mod helium_common.mod input_constants.mod pint_public.mod helium_interactions.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod force_env_types.mod pint_types.mod parallel_rng_types.mod input_section_types.mod particle_list_types.mod helium_types.mod cell_types.mod splines_types.mod cp_subsys_types.mod kinds.mod message_passing.mod helium_common.mod bibliography.mod helium_io.mod cp_files.mod cp_output_handling.mod base_hooks.mod mathconstants.mod helium_interactions.mod physcon.mod f77_interface.mod cp_log_handling.mod input_constants.mod pint_public.mod splines_methods.mod helium_sampling.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'helium_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/helium_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod parallel_rng_types.mod splines_types.mod helium_types.mod pint_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod message_passing.mod splines_methods.mod bibliography.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod helium_io.mod f77_interface.mod physcon.mod cp_files.mod helium_common.mod input_constants.mod pint_public.mod helium_interactions.mod helium_sampling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/helium_methods.F helium_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:46:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' helium_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_methods.F90 /build/reproducible-path/cp2k-8.1/src/motion/helium_methods.F:439:16: 439 | IF (expl_pot) THEN | ^ Warning: 'expl_pot' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_methods.mod' due to: helium_methods.o /build/reproducible-path/cp2k-8.1/src/motion/helium_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod force_env_types.mod pint_types.mod parallel_rng_types.mod input_section_types.mod particle_list_types.mod helium_types.mod cell_types.mod splines_types.mod cp_subsys_types.mod kinds.mod message_passing.mod helium_common.mod bibliography.mod helium_io.mod cp_files.mod cp_output_handling.mod base_hooks.mod mathconstants.mod helium_interactions.mod physcon.mod f77_interface.mod cp_log_handling.mod input_constants.mod pint_public.mod splines_methods.mod helium_sampling.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_opt_utils.mod' due to: neb_opt_utils.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_gle.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_gle.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod gle_system_types.mod kinds.mod base_hooks.mod gle_system_dynamics.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod cp_para_types.mod neb_types.mod replica_types.mod global_types.mod force_env_types.mod cp_subsys_types.mod neb_utils.mod header.mod cp_log_handling.mod replica_methods.mod neb_opt_utils.mod cp_output_handling.mod kinds.mod colvar_utils.mod base_hooks.mod f77_interface.mod physcon.mod cp_external_control.mod neb_md_utils.mod neb_io.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/neb_methods.F neb_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_pile.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_pile.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod parallel_rng_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_pile.F pint_pile.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_pile.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_io.mod' due to: pint_io.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_piglet.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_piglet.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod pint_types.mod parallel_rng_types.mod cp_units.mod pint_io.mod cp_files.mod kinds.mod gle_system_dynamics.mod base_hooks.mod input_constants.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_piglet.F pint_piglet.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_piglet.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_qtb.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_qtb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod parallel_rng_types.mod pint_types.mod mathconstants.mod pint_io.mod cp_files.mod fft_tools.mod kinds.mod cp_log_handling.mod fft_plan.mod input_constants.mod base_hooks.mod message_passing.mod fft_lib.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_qtb.F pint_qtb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_qtb.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_gle.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_gle.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 gle_system_types.mod pint_types.mod kinds.mod gle_system_dynamics.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_gle.F pint_gle.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_gle.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_gle.mod' due to: pint_gle.o /build/reproducible-path/cp2k-8.1/src/motion/pint_gle.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pint_types.mod gle_system_types.mod kinds.mod base_hooks.mod gle_system_dynamics.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_gle.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_vib.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_vib.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_vib.F input_cp2k_vib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_vib.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_pile.mod' due to: pint_pile.o +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_piglet.mod' due to: pint_piglet.o +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'helium_methods.mod' due to: helium_methods.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod distribution_1d_types.mod force_env_types.mod replica_types.mod molecule_list_types.mod pint_types.mod particle_types.mod parallel_rng_types.mod gle_system_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod helium_types.mod atomic_kind_list_types.mod molecule_kind_types.mod cell_types.mod simpar_types.mod molecule_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_external_control.mod input_cp2k_restarts.mod constraint_util.mod mathlib.mod bibliography.mod helium_io.mod cp_output_handling.mod pint_transformations.mod base_hooks.mod mathconstants.mod helium_interactions.mod machine.mod pint_io.mod constraint.mod gle_system_dynamics.mod pint_piglet.mod pint_qtb.mod f77_interface.mod cp_log_handling.mod pint_normalmode.mod pint_pile.mod helium_methods.mod input_constants.mod pint_staging.mod replica_methods.mod cp_units.mod pint_public.mod pint_gle.mod helium_sampling.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_qtb.mod' due to: pint_qtb.o +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_gle.mod' due to: pint_gle.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pint_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/pint_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod molecule_kind_list_types.mod parallel_rng_types.mod particle_types.mod molecule_kind_types.mod gle_system_types.mod molecule_types.mod cp_para_types.mod atomic_kind_list_types.mod helium_types.mod distribution_1d_types.mod molecule_list_types.mod pint_types.mod replica_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod pint_pile.mod gle_system_dynamics.mod cp_log_handling.mod constraint_util.mod message_passing.mod constraint.mod cp_units.mod pint_io.mod replica_methods.mod pint_piglet.mod helium_methods.mod pint_normalmode.mod mathlib.mod bibliography.mod cp_output_handling.mod machine.mod mathconstants.mod input_cp2k_restarts.mod pint_transformations.mod kinds.mod helium_io.mod base_hooks.mod pint_staging.mod f77_interface.mod cp_external_control.mod pint_qtb.mod input_constants.mod pint_gle.mod pint_public.mod helium_interactions.mod helium_sampling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/pint_methods.F pint_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pint_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_methods.F90 /build/reproducible-path/cp2k-8.1/src/motion/pint_methods.F:692:25: 692 | SUBROUTINE pint_retain(pint_env) @@ -48068,25 +48122,9 @@ 2429 | pint_env%uv(1, j + (i - 1)*3) = vel(j, i)*factor | ^ Warning: 'factor' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cell_opt.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/cell_opt.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod gopt_f_types.mod gopt_param_types.mod force_env_types.mod global_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod cg_optimizer.mod gopt_f_methods.mod cp_lbfgs_geo.mod bfgs_optimizer.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/cell_opt.F cell_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cell_opt.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'dimer_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/dimer_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod gopt_f_types.mod dimer_types.mod force_env_types.mod kinds.mod bibliography.mod motion_utils.mod cp_output_handling.mod cp_log_handling.mod dimer_utils.mod base_hooks.mod geo_opt.mod force_env_methods.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/dimer_methods.F dimer_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' dimer_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'dimer_methods.mod' due to: dimer_methods.o /build/reproducible-path/cp2k-8.1/src/motion/dimer_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod particle_list_types.mod gopt_f_types.mod dimer_types.mod force_env_types.mod kinds.mod bibliography.mod motion_utils.mod cp_output_handling.mod cp_log_handling.mod dimer_utils.mod base_hooks.mod geo_opt.mod force_env_methods.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'gopt_f77_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod gopt_f_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod virial_types.mod averages_types.mod cp_para_types.mod kinds.mod message_passing.mod force_env_methods.mod bibliography.mod cell_opt_utils.mod virial_methods.mod base_hooks.mod particle_methods.mod cp_log_handling.mod cell_methods.mod dimer_methods.mod input_constants.mod md_run.mod geo_opt.mod gopt_f_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/gopt_f77_methods.F gopt_f77_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' gopt_f77_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_opt_utils.mod' due to: neb_opt_utils.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'neb_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/neb_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod replica_types.mod particle_types.mod input_section_types.mod global_types.mod neb_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod cp_external_control.mod neb_opt_utils.mod cp_output_handling.mod base_hooks.mod physcon.mod f77_interface.mod cp_log_handling.mod neb_io.mod header.mod input_constants.mod replica_methods.mod neb_utils.mod colvar_utils.mod neb_md_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/neb_methods.F neb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' neb_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mode_selective.o' due to: /build/reproducible-path/cp2k-8.1/src/mode_selective.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod particle_types.mod replica_types.mod global_types.mod kinds.mod util.mod cp_files.mod message_passing.mod cp_output_handling.mod physcon.mod cp_log_handling.mod molden_utils.mod cp_result_methods.mod base_hooks.mod input_constants.mod mathlib.mod replica_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mode_selective.o' due to: /build/reproducible-path/cp2k-8.1/src/mode_selective.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod replica_types.mod particle_types.mod global_types.mod replica_methods.mod util.mod cp_files.mod molden_utils.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod cp_output_handling.mod message_passing.mod physcon.mod cp_result_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mode_selective.F mode_selective.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mode_selective.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mode_selective.F90 /build/reproducible-path/cp2k-8.1/src/mode_selective.F:843:100: 843 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: approx_H, H_save, residuum, tmp_b, tmp_s @@ -48111,11 +48149,11 @@ /build/reproducible-path/cp2k-8.1/src/mode_selective.F:120:67: Warning: 'tmp_dip.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/mode_selective.F:120:67: Warning: 'tmp_dip.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/mode_selective.F:120:67: Warning: 'tmp_dip.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mode_selective.mod' due to: mode_selective.o /build/reproducible-path/cp2k-8.1/src/mode_selective.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod particle_types.mod replica_types.mod global_types.mod kinds.mod util.mod cp_files.mod message_passing.mod cp_output_handling.mod physcon.mod cp_log_handling.mod molden_utils.mod cp_result_methods.mod base_hooks.mod input_constants.mod mathlib.mod replica_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mode_selective.mod' due to: mode_selective.o /build/reproducible-path/cp2k-8.1/src/mode_selective.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod replica_types.mod particle_types.mod global_types.mod replica_methods.mod util.mod cp_files.mod molden_utils.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod mathlib.mod cp_output_handling.mod message_passing.mod physcon.mod cp_result_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'vibrational_analysis.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/vibrational_analysis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod force_env_types.mod replica_types.mod particle_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cp_fm_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod cp_blacs_env.mod molden_utils.mod mode_selective.mod grrm_utils.mod util.mod motion_utils.mod cp_output_handling.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod physcon.mod particle_methods.mod f77_interface.mod cp_log_handling.mod header.mod cp_result_methods.mod scine_utils.mod input_constants.mod replica_methods.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'vibrational_analysis.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/vibrational_analysis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod cp_fm_types.mod particle_types.mod molecule_kind_types.mod cp_para_types.mod replica_types.mod particle_list_types.mod global_types.mod force_env_types.mod cp_subsys_types.mod molden_utils.mod header.mod cp_log_handling.mod scine_utils.mod util.mod replica_methods.mod motion_utils.mod mathlib.mod cp_blacs_env.mod particle_methods.mod cp_output_handling.mod mathconstants.mod cp_fm_struct.mod kinds.mod base_hooks.mod grrm_utils.mod f77_interface.mod physcon.mod cp_result_methods.mod input_constants.mod mode_selective.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/vibrational_analysis.F vibrational_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' vibrational_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' vibrational_analysis.F90 /build/reproducible-path/cp2k-8.1/src/motion/vibrational_analysis.F:124:72: 124 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: D, dip_deriv, RotTrM @@ -48143,41 +48181,101 @@ Warning: 'tmp_dip.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/motion/vibrational_analysis.F:125:67: Warning: 'tmp_dip.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/motion/vibrational_analysis.F:125:67: Warning: 'tmp_dip.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_vib.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_vib.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod cp_output_handling.mod cp_units.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/input_cp2k_vib.F input_cp2k_vib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_vib.F90 -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmotion.a' due to: pint_staging.o neb_opt_utils.o mdctrl_methods.o helium_interactions.o rt_propagation.o neb_types.o pint_methods.o shell_opt.o md_run.o integrator_utils.o md_environment_types.o pint_gle.o cell_opt_utils.o neb_md_utils.o md_util.o wiener_process.o cg_utils.o neb_io.o thermal_region_utils.o gopt_f_types.o reftraj_types.o neb_utils.o free_energy_methods.o pint_piglet.o cell_opt.o helium_methods.o helium_sampling.o gopt_f_methods.o md_ener_types.o md_vel_utils.o gopt_f77_methods.o glbopt_callback.o thermal_region_types.o pint_transformations.o cp_lbfgs_optimizer_gopt.o velocity_verlet_control.o dimer_types.o helium_worm.o pint_pile.o neb_methods.o pint_qtb.o md_energies.o helium_types.o integrator.o input_cp2k_restarts.o pint_types.o geo_opt.o dimer_utils.o pint_normalmode.o helium_common.o cg_optimizer.o pint_io.o input_cp2k_md.o cp_lbfgs_geo.o cp_lbfgs.o gopt_param_types.o pint_public.o reftraj_util.o md_conserved_quantities.o vibrational_analysis.o helium_io.o cell_opt_types.o simpar_methods.o bfgs_optimizer.o dimer_methods.o input_cp2k_vib.o averages_types.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmotion.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmotion.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmotion.a pint_staging.o neb_opt_utils.o mdctrl_methods.o helium_interactions.o rt_propagation.o neb_types.o pint_methods.o shell_opt.o md_run.o integrator_utils.o md_environment_types.o pint_gle.o cell_opt_utils.o neb_md_utils.o md_util.o wiener_process.o cg_utils.o neb_io.o thermal_region_utils.o gopt_f_types.o reftraj_types.o neb_utils.o free_energy_methods.o pint_piglet.o cell_opt.o helium_methods.o helium_sampling.o gopt_f_methods.o md_ener_types.o md_vel_utils.o gopt_f77_methods.o glbopt_callback.o thermal_region_types.o pint_transformations.o cp_lbfgs_optimizer_gopt.o velocity_verlet_control.o dimer_types.o helium_worm.o pint_pile.o neb_methods.o pint_qtb.o md_energies.o helium_types.o integrator.o input_cp2k_restarts.o pint_types.o geo_opt.o dimer_utils.o pint_normalmode.o helium_common.o cg_optimizer.o pint_io.o input_cp2k_md.o cp_lbfgs_geo.o cp_lbfgs.o gopt_param_types.o pint_public.o reftraj_util.o md_conserved_quantities.o vibrational_analysis.o helium_io.o cell_opt_types.o simpar_methods.o bfgs_optimizer.o dimer_methods.o input_cp2k_vib.o averages_types.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmotion.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kthermostat.a' due to: extended_system_dynamics.o al_system_mapping.o barostat_types.o thermostat_utils.o thermostat_mapping.o al_system_dynamics.o csvr_system_dynamics.o extended_system_init.o input_cp2k_barostats.o barostat_utils.o csvr_system_init.o thermostat_types.o gle_system_dynamics.o extended_system_mapping.o csvr_system_mapping.o al_system_init.o thermostat_methods.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kthermostat.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kthermostat.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kthermostat.a extended_system_dynamics.o al_system_mapping.o barostat_types.o thermostat_utils.o thermostat_mapping.o al_system_dynamics.o csvr_system_dynamics.o extended_system_init.o input_cp2k_barostats.o barostat_utils.o csvr_system_init.o thermostat_types.o gle_system_dynamics.o extended_system_mapping.o csvr_system_mapping.o al_system_init.o thermostat_methods.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kthermostat.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kemd.a' due to: rt_hfx_utils.o rt_propagation_utils.o rt_propagation_methods.o rt_propagator_init.o rt_propagation_output.o rt_make_propagators.o rt_delta_pulse.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kemd.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kemd.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kemd.a rt_hfx_utils.o rt_propagation_utils.o rt_propagation_methods.o rt_propagator_init.o rt_propagation_output.o rt_make_propagators.o rt_delta_pulse.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kemd.a -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_integr_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_integr_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-8.1/src/negf_integr_utils.fypp kinds.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_integr_utils.F negf_integr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_integr_utils.F90 -/build/reproducible-path/cp2k-8.1/src/negf_integr_utils.F:181:3: +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a' due to: integrator.o neb_md_utils.o neb_opt_utils.o pint_staging.o pint_io.o gopt_f77_methods.o gopt_f_types.o cell_opt.o averages_types.o pint_transformations.o pint_public.o md_ener_types.o cg_optimizer.o geo_opt.o thermal_region_utils.o bfgs_optimizer.o neb_utils.o helium_types.o rt_propagation.o md_vel_utils.o helium_methods.o neb_io.o pint_types.o free_energy_methods.o dimer_methods.o shell_opt.o md_run.o reftraj_types.o cp_lbfgs.o neb_methods.o helium_common.o md_environment_types.o pint_pile.o velocity_verlet_control.o input_cp2k_restarts.o pint_normalmode.o md_util.o cell_opt_types.o gopt_param_types.o dimer_types.o cp_lbfgs_optimizer_gopt.o md_conserved_quantities.o pint_piglet.o pint_qtb.o helium_interactions.o dimer_utils.o simpar_methods.o gopt_f_methods.o md_energies.o wiener_process.o helium_worm.o thermal_region_types.o helium_io.o mdctrl_methods.o neb_types.o pint_gle.o integrator_utils.o cg_utils.o glbopt_callback.o helium_sampling.o input_cp2k_vib.o cp_lbfgs_geo.o pint_methods.o reftraj_util.o cell_opt_utils.o input_cp2k_md.o vibrational_analysis.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a integrator.o neb_md_utils.o neb_opt_utils.o pint_staging.o pint_io.o gopt_f77_methods.o gopt_f_types.o cell_opt.o averages_types.o pint_transformations.o pint_public.o md_ener_types.o cg_optimizer.o geo_opt.o thermal_region_utils.o bfgs_optimizer.o neb_utils.o helium_types.o rt_propagation.o md_vel_utils.o helium_methods.o neb_io.o pint_types.o free_energy_methods.o dimer_methods.o shell_opt.o md_run.o reftraj_types.o cp_lbfgs.o neb_methods.o helium_common.o md_environment_types.o pint_pile.o velocity_verlet_control.o input_cp2k_restarts.o pint_normalmode.o md_util.o cell_opt_types.o gopt_param_types.o dimer_types.o cp_lbfgs_optimizer_gopt.o md_conserved_quantities.o pint_piglet.o pint_qtb.o helium_interactions.o dimer_utils.o simpar_methods.o gopt_f_methods.o md_energies.o wiener_process.o helium_worm.o thermal_region_types.o helium_io.o mdctrl_methods.o neb_types.o pint_gle.o integrator_utils.o cg_utils.o glbopt_callback.o helium_sampling.o input_cp2k_vib.o cp_lbfgs_geo.o pint_methods.o reftraj_util.o cell_opt_utils.o input_cp2k_md.o vibrational_analysis.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a' due to: csvr_system_init.o csvr_system_mapping.o thermostat_utils.o extended_system_mapping.o extended_system_dynamics.o al_system_dynamics.o gle_system_dynamics.o input_cp2k_barostats.o al_system_init.o thermostat_mapping.o extended_system_init.o al_system_mapping.o barostat_utils.o barostat_types.o thermostat_methods.o thermostat_types.o csvr_system_dynamics.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a csvr_system_init.o csvr_system_mapping.o thermostat_utils.o extended_system_mapping.o extended_system_dynamics.o al_system_dynamics.o gle_system_dynamics.o input_cp2k_barostats.o al_system_init.o thermostat_mapping.o extended_system_init.o al_system_mapping.o barostat_utils.o barostat_types.o thermostat_methods.o thermostat_types.o csvr_system_dynamics.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a' due to: rt_delta_pulse.o rt_propagator_init.o rt_propagation_methods.o rt_propagation_output.o rt_make_propagators.o rt_hfx_utils.o rt_propagation_utils.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a rt_delta_pulse.o rt_propagator_init.o rt_propagation_methods.o rt_propagation_output.o rt_make_propagators.o rt_hfx_utils.o rt_propagation_utils.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_coulomb_test.mod' due to: ai_coulomb_test.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'shg_integrals_test.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_integrals_test.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod input_keyword_types.mod input_val_types.mod generic_shg_integrals.mod orbital_transformation_matrices.mod kinds.mod cp_log_handling.mod base_hooks.mod generic_os_integrals.mod generic_shg_integrals_init.mod orbital_pointers.mod input_cp2k_subsys.mod constants_operator.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_integrals_test.F shg_integrals_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' shg_integrals_test.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'shg_integrals_test.mod' due to: shg_integrals_test.o /build/reproducible-path/cp2k-8.1/src/shg_integrals_test.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod input_keyword_types.mod input_val_types.mod generic_shg_integrals.mod orbital_transformation_matrices.mod kinds.mod cp_log_handling.mod base_hooks.mod generic_os_integrals.mod generic_shg_integrals_init.mod orbital_pointers.mod input_cp2k_subsys.mod constants_operator.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cg_test.mod' due to: cg_test.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'library_tests.o' due to: /build/reproducible-path/cp2k-8.1/src/library_tests.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod parallel_rng_types.mod realspace_grid_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod global_types.mod cell_types.mod pw_grids.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod cp_eri_mme_interface.mod ai_coulomb_test.mod pw_methods.mod cp_blacs_env.mod cp_output_handling.mod machine.mod cp_gemm_interface.mod cp_fm_struct.mod kinds.mod base_hooks.mod mp2_grids.mod minimax_exp.mod cp_files.mod fft_tools.mod cp_realspace_grid_init.mod input_constants.mod shg_integrals_test.mod cg_test.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/library_tests.F library_tests.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' library_tests.F90 +/build/reproducible-path/cp2k-8.1/src/library_tests.F:925:21: - 181 | PURE FUNCTION get_axis_rotation_angle(a, b) RESULT(phi) - | ^ -Warning: 'get_axis_rotation_angle' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_debug.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod base_hooks.mod semi_empirical_int_arrays.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.F semi_empirical_int_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' semi_empirical_int_debug.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mscfg_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/mscfg_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod mscfg_types.mod force_env_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod almo_scf_types.mod molecule_types.mod global_types.mod qs_mo_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod cp_dbcsr_operations.mod cp_subsys_methods.mod qs_energy.mod base_hooks.mod cp_log_handling.mod input_constants.mod qs_environment.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mscfg_methods.F mscfg_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:47:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mscfg_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_grb.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_grb.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod ai_onecenter.mod kinds.mod cp_files.mod atom_operators.mod orbital_transformation_matrices.mod periodic_table.mod powell.mod base_hooks.mod atom_electronic_structure.mod atom_utils.mod mathconstants.mod orbital_pointers.mod qs_grid_atom.mod input_constants.mod lapack.mod physcon.mod + 925 | ELSE IF (is_fullspace) THEN + | ^ +Warning: 'is_fullspace' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_environment_types.mod qs_p_env_types.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_blacs_env.mod qs_matrix_pools.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_types.F qs_tddfpt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_types.mod' due to: qs_tddfpt_types.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_environment_types.mod qs_p_env_types.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_blacs_env.mod qs_matrix_pools.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod qs_environment_types.mod qs_mo_types.mod qs_tddfpt_types.mod qs_p_env_types.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod cp_log_handling.mod kinds.mod base_hooks.mod physcon.mod cp_fm_cholesky.mod qs_p_env_methods.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_utils.F qs_tddfpt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_utils.mod' due to: qs_tddfpt_utils.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_control_types.mod qs_environment_types.mod qs_mo_types.mod qs_tddfpt_types.mod qs_p_env_types.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod cp_log_handling.mod kinds.mod base_hooks.mod physcon.mod cp_fm_cholesky.mod qs_p_env_methods.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_eigensolver.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_eigensolver.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_p_env_types.mod cp_fm_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_tddfpt_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_tddfpt_utils.mod cp_blacs_env.mod cp_fm_struct.mod kinds.mod base_hooks.mod physcon.mod qs_p_env_methods.mod qs_matrix_pools.mod cp_dbcsr_operations.mod input_constants.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt_eigensolver.F90 +/build/reproducible-path/cp2k-8.1/src/qs_tddfpt_eigensolver.F:310:24: + + 310 | ELSE IF (mode == 'D') THEN + | ^ +Warning: 'mode[1]{lb: 1 sz: 1}' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_eigensolver.mod' due to: qs_tddfpt_eigensolver.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_eigensolver.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_p_env_types.mod cp_fm_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_tddfpt_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_tddfpt_utils.mod cp_blacs_env.mod cp_fm_struct.mod kinds.mod base_hooks.mod physcon.mod qs_p_env_methods.mod qs_matrix_pools.mod cp_dbcsr_operations.mod input_constants.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_module.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_module.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_p_env_types.mod qs_scf_types.mod qs_tddfpt_types.mod qs_ks_types.mod qs_energy_types.mod qs_rho_types.mod qs_environment_types.mod header.mod cp_log_handling.mod xc_pot_saop.mod qs_tddfpt_utils.mod bibliography.mod cp_output_handling.mod base_hooks.mod qs_ks_methods.mod qs_tddfpt_eigensolver.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_module.F qs_tddfpt_module.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt_module.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_basis_types.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_basis_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod powell.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_basis_types.F optimize_basis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_basis_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_alloc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_alloc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_alloc_types.F negf_alloc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_alloc_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_alloc_types.mod' due to: negf_alloc_types.o /build/reproducible-path/cp2k-8.1/src/negf_alloc_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_control_types.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_control_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod negf_alloc_types.mod particle_types.mod cp_subsys_types.mod molecule_kind_types.mod mathconstants.mod util.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_control_types.F negf_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_control_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_control_types.mod' due to: negf_control_types.o /build/reproducible-path/cp2k-8.1/src/negf_control_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod negf_alloc_types.mod particle_types.mod cp_subsys_types.mod molecule_kind_types.mod mathconstants.mod util.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod physcon.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_subgroup_types.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_subgroup_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 negf_control_types.mod cp_para_types.mod cp_para_env.mod base_hooks.mod message_passing.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_subgroup_types.F negf_subgroup_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_subgroup_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_basis_types.mod' due to: optimize_basis_types.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_basis_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_basis_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod optimize_basis_types.mod cp_para_types.mod cp_parser_types.mod cp_files.mod powell.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod input_constants.mod cp_parser_methods.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_basis_utils.F optimize_basis_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_basis_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ipi_driver.o' due to: /build/reproducible-path/cp2k-8.1/src/ipi_driver.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod virial_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod kinds.mod cp_log_handling.mod base_hooks.mod force_env_methods.mod bibliography.mod message_passing.mod cp_external_control.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ipi_driver.F ipi_driver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ipi_driver.F90 +/build/reproducible-path/cp2k-8.1/src/ipi_driver.F:209:26: + + 209 | SUBROUTINE readbuffer_d(psockfd, fdata) + | ^ +Warning: 'readbuffer_d' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mao_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mao_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mao_types.F mao_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mao_types.F90 +/build/reproducible-path/cp2k-8.1/src/mao_types.F:38:29: + + 38 | SUBROUTINE create_mao_type(mao_env) + | ^ +Warning: 'create_mao_type' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_grb.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_grb.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod mathconstants.mod orbital_transformation_matrices.mod cp_files.mod periodic_table.mod atom_electronic_structure.mod powell.mod kinds.mod qs_grid_atom.mod base_hooks.mod input_constants.mod lapack.mod ai_onecenter.mod atom_operators.mod orbital_pointers.mod atom_utils.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_grb.F atom_grb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:48:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_grb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:49:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_grb.F90 /build/reproducible-path/cp2k-8.1/src/atom_grb.F:763:23: 763 | nval = lmax @@ -48213,147 +48311,47 @@ 265 | state%occupation(lhomo, nhomo) = fhomo + dene | ^ Warning: 'fhomo' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod cp_output_handling.mod input_cp2k_xc.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_atom.F input_cp2k_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:48:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_atom.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_pseudo.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_pseudo.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod cp_output_handling.mod atom_operators.mod cp_log_handling.mod periodic_table.mod atom_fit.mod atom_electronic_structure.mod atom_utils.mod base_hooks.mod input_constants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_pseudo.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_pseudo.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod periodic_table.mod atom_electronic_structure.mod kinds.mod atom_output.mod cp_log_handling.mod base_hooks.mod input_constants.mod atom_fit.mod atom_operators.mod atom_utils.mod physcon.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_pseudo.F atom_pseudo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:48:34 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_pseudo.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_basis_types.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_basis_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod powell.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_basis_types.F optimize_basis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:48:39 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' optimize_basis_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_admm_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_admm_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod atom_operators.mod base_hooks.mod atom_utils.mod input_constants.mod atom_xc.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_admm_methods.F atom_admm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:48:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_admm_methods.F90 -/build/reproducible-path/cp2k-8.1/src/atom_admm_methods.F:213:19: - - 213 | IF (rhf) THEN - | ^ -Warning: 'rhf' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_admm_methods.mod' due to: atom_admm_methods.o /build/reproducible-path/cp2k-8.1/src/atom_admm_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod atom_operators.mod base_hooks.mod atom_utils.mod input_constants.mod atom_xc.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_grb.mod' due to: atom_grb.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_energy.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_energy.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod atom_operators.mod atom_fit.mod atom_sgp.mod atom_admm_methods.mod cp_output_handling.mod base_hooks.mod mathconstants.mod physcon.mod cp_log_handling.mod atom_electronic_structure.mod input_constants.mod atom_xc.mod atom_grb.mod periodic_table.mod atom_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_energy.F atom_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:48:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_energy.F90 -/build/reproducible-path/cp2k-8.1/src/atom_energy.F:530:54: - - 530 | state%occupation(lhomo, nhomo) = fhomo + dene - | ^ -Warning: 'fhomo' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/src/atom_energy.F:492:85: - - 492 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, & - | ^ -note: 'fhomo' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_energy.mod' due to: atom_energy.o /build/reproducible-path/cp2k-8.1/src/atom_energy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod atom_operators.mod atom_fit.mod atom_sgp.mod atom_admm_methods.mod cp_output_handling.mod base_hooks.mod mathconstants.mod physcon.mod cp_log_handling.mod atom_electronic_structure.mod input_constants.mod atom_xc.mod atom_grb.mod periodic_table.mod atom_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod cp_output_handling.mod cp_log_handling.mod periodic_table.mod atom_fit.mod base_hooks.mod atom_utils.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_basis.F atom_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom_basis.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_basis.mod' due to: atom_basis.o /build/reproducible-path/cp2k-8.1/src/atom_basis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_output.mod kinds.mod cp_output_handling.mod cp_log_handling.mod periodic_table.mod atom_fit.mod base_hooks.mod atom_utils.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_pseudo.mod' due to: atom_pseudo.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom.o' due to: /build/reproducible-path/cp2k-8.1/src/atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod periodic_table.mod header.mod base_hooks.mod atom_energy.mod input_constants.mod atom_basis.mod atom_pseudo.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom.F atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' atom.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_input.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod cell_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_external_control.mod cp_output_handling.mod base_hooks.mod machine.mod physcon.mod f77_interface.mod cp_log_handling.mod memory_utilities.mod input_constants.mod cp_parser_methods.mod cp2k_info.mod environment.mod powell.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_input.F optimize_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' optimize_input.F90 -/build/reproducible-path/cp2k-8.1/src/optimize_input.F:182:69: - - 182 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cell_traj, cell_traj_read, force_traj, & - | ^ -Warning: 'cell_traj.data' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'ipi_driver.o' due to: /build/reproducible-path/cp2k-8.1/src/ipi_driver.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod virial_types.mod cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod force_env_methods.mod kinds.mod bibliography.mod message_passing.mod cp_external_control.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/ipi_driver.F ipi_driver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:23 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' ipi_driver.F90 -/build/reproducible-path/cp2k-8.1/src/ipi_driver.F:209:26: - - 209 | SUBROUTINE readbuffer_d(psockfd, fdata) - | ^ -Warning: 'readbuffer_d' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_types.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_p_env_types.mod kinds.mod cp_blacs_env.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_types.F qs_tddfpt_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_basis_types.mod' due to: optimize_basis_types.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_basis_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_basis_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod optimize_basis_types.mod cp_para_types.mod kinds.mod cp_files.mod cp_parser_methods.mod string_utilities.mod powell.mod cp_log_handling.mod base_hooks.mod input_constants.mod machine.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_basis_utils.F optimize_basis_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' optimize_basis_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'shg_integrals_test.o' due to: /build/reproducible-path/cp2k-8.1/src/shg_integrals_test.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod basis_set_types.mod kinds.mod generic_os_integrals.mod generic_shg_integrals_init.mod input_cp2k_subsys.mod cp_log_handling.mod orbital_transformation_matrices.mod base_hooks.mod constants_operator.mod orbital_pointers.mod generic_shg_integrals.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/shg_integrals_test.F shg_integrals_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' shg_integrals_test.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_optimize_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/input_optimize_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_optimize_basis.F input_optimize_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:41 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_optimize_basis.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'shg_integrals_test.mod' due to: shg_integrals_test.o -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ai_coulomb_test.mod' due to: ai_coulomb_test.o +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_pseudo.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_atom.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod input_cp2k_xc.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_atom.F input_cp2k_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_atom.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_atom_map.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_atom_map.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_kind_types.mod particle_types.mod qs_subsys_types.mod cell_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_atom_map.F negf_atom_map.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_atom_map.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_basis_utils.mod' due to: optimize_basis_utils.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cg_test.mod' due to: cg_test.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optbas_opt_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/optbas_opt_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod admm_types.mod cp_gemm_interface.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optbas_opt_utils.F optbas_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optbas_opt_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optbas_opt_utils.mod' due to: optbas_opt_utils.o /build/reproducible-path/cp2k-8.1/src/optbas_opt_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod admm_types.mod cp_gemm_interface.mod cp_fm_basic_linalg.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'library_tests.o' due to: /build/reproducible-path/cp2k-8.1/src/library_tests.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod parallel_rng_types.mod input_section_types.mod cell_types.mod cp_fm_types.mod global_types.mod realspace_grid_types.mod cp_para_types.mod pw_types.mod kinds.mod minimax_exp.mod message_passing.mod cp_blacs_env.mod cp_fm_diag.mod cp_fm_basic_linalg.mod shg_integrals_test.mod cp_files.mod cp_eri_mme_interface.mod cp_output_handling.mod ai_coulomb_test.mod cp_fm_struct.mod mp2_grids.mod cg_test.mod base_hooks.mod machine.mod cp_realspace_grid_init.mod cp_log_handling.mod pw_methods.mod fft_tools.mod input_constants.mod cp_gemm_interface.mod pw_grids.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/library_tests.F library_tests.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' library_tests.F90 -/build/reproducible-path/cp2k-8.1/src/library_tests.F:925:21: - - 925 | ELSE IF (is_fullspace) THEN - | ^ -Warning: 'is_fullspace' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp2k_debug.o' due to: /build/reproducible-path/cp2k-8.1/src/cp2k_debug.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod force_env_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod cp_result_types.mod cp_subsys_types.mod virial_types.mod cp_para_types.mod kinds.mod force_env_methods.mod cp_output_handling.mod base_hooks.mod particle_methods.mod cp_log_handling.mod cp_result_methods.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp2k_debug.F cp2k_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp2k_debug.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_alloc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_alloc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_alloc_types.F negf_alloc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:55 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_alloc_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_atom_map.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_atom_map.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_subsys_types.mod particle_types.mod cell_types.mod qs_kind_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_atom_map.F negf_atom_map.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:56 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_atom_map.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pilaenv_hack.o' due to: /build/reproducible-path/cp2k-8.1/src/pilaenv_hack.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pilaenv_hack.F pilaenv_hack.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' pilaenv_hack.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optbas_fenv_manipulation.o' due to: /build/reproducible-path/cp2k-8.1/src/optbas_fenv_manipulation.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_container_types.mod qs_kind_types.mod admm_types.mod qs_rho_types.mod cp_fm_pool_types.mod particle_types.mod qs_ks_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod qs_neighbor_list_types.mod optimize_basis_types.mod cp_fm_types.mod qs_mo_types.mod scf_control_types.mod cp_para_types.mod basis_set_types.mod kinds.mod cp_blacs_env.mod string_utilities.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod qs_rho_methods.mod cp_output_handling.mod qs_mo_methods.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod qs_energy_init.mod qs_mo_io.mod qs_interactions.mod cp_log_handling.mod qs_overlap.mod input_constants.mod qs_ks_methods.mod cp_fm_cholesky.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optbas_fenv_manipulation.o' due to: /build/reproducible-path/cp2k-8.1/src/optbas_fenv_manipulation.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod optimize_basis_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_kind_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod basis_set_container_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_interactions.mod qs_energy_init.mod cp_blacs_env.mod cp_output_handling.mod qs_rho_methods.mod qs_overlap.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod qs_ks_methods.mod cp_fm_cholesky.mod qs_matrix_pools.mod qs_mo_methods.mod cp_dbcsr_operations.mod string_utilities.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:49:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' optbas_fenv_manipulation.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_alloc_types.mod' due to: negf_alloc_types.o +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optbas_fenv_manipulation.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optbas_fenv_manipulation.mod' due to: optbas_fenv_manipulation.o /build/reproducible-path/cp2k-8.1/src/optbas_fenv_manipulation.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_fm_types.mod qs_mo_types.mod particle_types.mod admm_types.mod optimize_basis_types.mod cp_para_types.mod cp_fm_pool_types.mod qs_kind_types.mod qs_ks_types.mod basis_set_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod basis_set_container_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_interactions.mod qs_energy_init.mod cp_blacs_env.mod cp_output_handling.mod qs_rho_methods.mod qs_overlap.mod cp_fm_struct.mod kinds.mod qs_mo_io.mod base_hooks.mod qs_ks_methods.mod cp_fm_cholesky.mod qs_matrix_pools.mod qs_mo_methods.mod cp_dbcsr_operations.mod string_utilities.mod input_constants.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod optimize_basis_types.mod cp_para_types.mod qs_ks_types.mod force_env_types.mod qs_environment_types.mod admm_methods.mod cp_log_handling.mod message_passing.mod input_cp2k_read.mod qs_neighbor_lists.mod cp_blacs_env.mod machine.mod cp_para_env.mod optimize_basis_utils.mod powell.mod kinds.mod base_hooks.mod f77_interface.mod optbas_opt_utils.mod optbas_fenv_manipulation.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_basis.F optimize_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_basis.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_subgroup_types.mod' due to: negf_subgroup_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_control_types.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_control_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod negf_alloc_types.mod input_section_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod kinds.mod util.mod string_utilities.mod base_hooks.mod mathconstants.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_control_types.F negf_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:04 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_control_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_atom_map.mod' due to: negf_atom_map.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_matrix_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_matrix_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 negf_alloc_types.mod qs_subsys_types.mod cp_para_types.mod particle_types.mod cp_fm_types.mod qs_kind_types.mod kinds.mod message_passing.mod particle_methods.mod base_hooks.mod negf_atom_map.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_matrix_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_matrix_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod negf_alloc_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod qs_subsys_types.mod negf_atom_map.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod message_passing.mod particle_methods.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_matrix_utils.F negf_matrix_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_matrix_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_negf.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_negf.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_density_mixing_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_negf.F input_cp2k_negf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_negf.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_constraints.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_constraints.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_constraints.F input_cp2k_constraints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:14 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_constraints.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_green_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_green_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod kinds.mod cp_cfm_basic_linalg.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_green_methods.F negf_green_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_green_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_control_types.mod' due to: negf_control_types.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_subgroup_types.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_subgroup_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod negf_control_types.mod message_passing.mod cp_para_env.mod cp_blacs_env.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_subgroup_types.F negf_subgroup_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_subgroup_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_subgroup_types.mod' due to: negf_subgroup_types.o /build/reproducible-path/cp2k-8.1/src/negf_subgroup_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod negf_control_types.mod message_passing.mod cp_para_env.mod cp_blacs_env.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_matrix_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_matrix_utils.mod' due to: negf_matrix_utils.o /build/reproducible-path/cp2k-8.1/src/negf_matrix_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod negf_alloc_types.mod cp_para_types.mod qs_kind_types.mod particle_types.mod qs_subsys_types.mod negf_atom_map.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod message_passing.mod particle_methods.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_vectors.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_vectors.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_subsys_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_vectors.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_vectors.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_subsys_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_vectors.F negf_vectors.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_vectors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_vectors.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_vectors.mod' due to: negf_vectors.o /build/reproducible-path/cp2k-8.1/src/negf_vectors.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_subsys_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_matrix_utils.mod' due to: negf_matrix_utils.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod force_env_types.mod qs_rho_types.mod qs_density_mixing_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod negf_subgroup_types.mod cp_para_types.mod pw_types.mod negf_control_types.mod kinds.mod message_passing.mod cp_blacs_env.mod negf_atom_map.mod qs_integrate_potential.mod qs_energy.mod cp_fm_struct.mod base_hooks.mod qs_energy_init.mod negf_vectors.mod negf_matrix_utils.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_env_types.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_env_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod negf_control_types.mod kpoint_types.mod negf_subgroup_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod pw_env_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod qs_subsys_types.mod cp_control_types.mod qs_rho_types.mod force_env_types.mod cell_types.mod qs_density_mixing_types.mod message_passing.mod qs_energy_init.mod negf_matrix_utils.mod cp_blacs_env.mod cp_fm_struct.mod kinds.mod negf_atom_map.mod base_hooks.mod qs_energy.mod qs_integrate_potential.mod negf_vectors.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_env_types.F negf_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_env_types.F90 /build/reproducible-path/cp2k-8.1/src/negf_env_types.F:1051:13: 1051 | IF (imo == 0) THEN @@ -48364,15 +48362,53 @@ 995 | INTEGER :: handle, homo, ikpgr, ikpoint, imo, & | ^ note: 'imo' was declared here -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_env_types.mod' due to: negf_env_types.o /build/reproducible-path/cp2k-8.1/src/negf_env_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod force_env_types.mod qs_rho_types.mod qs_density_mixing_types.mod particle_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod kpoint_types.mod cp_fm_types.mod qs_mo_types.mod pw_pool_types.mod negf_subgroup_types.mod cp_para_types.mod pw_types.mod negf_control_types.mod kinds.mod message_passing.mod cp_blacs_env.mod negf_atom_map.mod qs_integrate_potential.mod qs_energy.mod cp_fm_struct.mod base_hooks.mod qs_energy_init.mod negf_vectors.mod negf_matrix_utils.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_green_methods.mod' due to: negf_green_methods.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'farming_types.o' due to: /build/reproducible-path/cp2k-8.1/src/farming_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/farming_types.F farming_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' farming_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'farming_types.mod' due to: farming_types.o /build/reproducible-path/cp2k-8.1/src/farming_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'farming_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/farming_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod farming_types.mod cp_files.mod cp_log_handling.mod base_hooks.mod message_passing.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/farming_methods.F farming_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' farming_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_constraints.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_constraints.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cell_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_constraints.F input_cp2k_constraints.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_constraints.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod periodic_table.mod kinds.mod atom_output.mod cp_log_handling.mod base_hooks.mod input_constants.mod atom_fit.mod atom_utils.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_basis.F atom_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_basis.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_negf.o' due to: /build/reproducible-path/cp2k-8.1/src/input_cp2k_negf.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_density_mixing_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_cp2k_negf.F input_cp2k_negf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_negf.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_optimize_input.o' due to: /build/reproducible-path/cp2k-8.1/src/input_optimize_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_optimize_input.F input_optimize_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_optimize_input.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp2k_debug.o' due to: /build/reproducible-path/cp2k-8.1/src/cp2k_debug.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod cp_result_types.mod cp_para_types.mod qs_kind_types.mod virial_types.mod cp_control_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod cp_log_handling.mod force_env_methods.mod particle_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_result_methods.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/cp2k_debug.F cp2k_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp2k_debug.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_green_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_green_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod mathconstants.mod cp_fm_struct.mod kinds.mod base_hooks.mod cp_cfm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_green_methods.F negf_green_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_green_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_integr_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_integr_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/negf_integr_utils.fypp /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod mathconstants.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_integr_utils.F negf_integr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_integr_utils.F90 +/build/reproducible-path/cp2k-8.1/src/negf_integr_utils.F:181:3: + + 181 | PURE FUNCTION get_axis_rotation_angle(a, b) RESULT(phi) + | ^ +Warning: 'get_axis_rotation_angle' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_input.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod cp_para_types.mod cp_parser_types.mod cell_types.mod cp_log_handling.mod environment.mod message_passing.mod cp2k_info.mod cp_parser_methods.mod machine.mod cp_output_handling.mod memory_utilities.mod powell.mod kinds.mod base_hooks.mod f77_interface.mod physcon.mod cp_external_control.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_input.F optimize_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_input.F90 +/build/reproducible-path/cp2k-8.1/src/optimize_input.F:182:69: + + 182 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cell_traj, cell_traj_read, force_traj, & + | ^ +Warning: 'cell_traj.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_integr_utils.mod' due to: negf_integr_utils.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_integr_cc.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_integr_cc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod kinds.mod cp_cfm_basic_linalg.mod kahan_sum.mod negf_integr_utils.mod cp_fm_struct.mod fft_tools.mod base_hooks.mod mathconstants.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_integr_cc.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_integr_cc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod mathconstants.mod fft_tools.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod negf_integr_utils.mod kahan_sum.mod cp_cfm_basic_linalg.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_integr_cc.F negf_integr_cc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_integr_cc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_integr_cc.F90 /build/reproducible-path/cp2k-8.1/src/negf_integr_cc.F:400:51: 400 | ALLOCATE (cc_env%zdata_cache(nnodes_half)) @@ -48383,21 +48419,65 @@ 273 | ALLOCATE (xnodes_next(nnodes_next)) | ^ Warning: 'nnodes_next' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_integr_cc.mod' due to: negf_integr_cc.o /build/reproducible-path/cp2k-8.1/src/negf_integr_cc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod kinds.mod cp_cfm_basic_linalg.mod kahan_sum.mod negf_integr_utils.mod cp_fm_struct.mod fft_tools.mod base_hooks.mod mathconstants.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'pilaenv_hack.o' due to: /build/reproducible-path/cp2k-8.1/src/pilaenv_hack.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/pilaenv_hack.F pilaenv_hack.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pilaenv_hack.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_green_cache.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_green_cache.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_green_cache.F negf_green_cache.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_green_cache.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_basis.mod' due to: atom_basis.o +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_pseudo.mod' due to: atom_pseudo.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_admm_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_admm_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_xc.mod kinds.mod atom_output.mod base_hooks.mod input_constants.mod mathlib.mod atom_operators.mod atom_utils.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_admm_methods.F atom_admm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_admm_methods.F90 +/build/reproducible-path/cp2k-8.1/src/atom_admm_methods.F:213:19: + + 213 | IF (rhf) THEN + | ^ +Warning: 'rhf' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_admm_methods.mod' due to: atom_admm_methods.o /build/reproducible-path/cp2k-8.1/src/atom_admm_methods.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_xc.mod kinds.mod atom_output.mod base_hooks.mod input_constants.mod mathlib.mod atom_operators.mod atom_utils.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_grb.mod' due to: atom_grb.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom_energy.o' due to: /build/reproducible-path/cp2k-8.1/src/atom_energy.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_xc.mod cp_log_handling.mod atom_utils.mod atom_admm_methods.mod atom_fit.mod cp_output_handling.mod mathconstants.mod periodic_table.mod atom_electronic_structure.mod kinds.mod base_hooks.mod physcon.mod atom_grb.mod atom_output.mod input_constants.mod atom_sgp.mod atom_operators.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom_energy.F atom_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_energy.F90 +/build/reproducible-path/cp2k-8.1/src/atom_energy.F:530:54: + + 530 | state%occupation(lhomo, nhomo) = fhomo + dene + | ^ +Warning: 'fhomo' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/src/atom_energy.F:492:85: + + 492 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, & + | ^ +note: 'fhomo' was declared here +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom_energy.mod' due to: atom_energy.o /build/reproducible-path/cp2k-8.1/src/atom_energy.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_xc.mod cp_log_handling.mod atom_utils.mod atom_admm_methods.mod atom_fit.mod cp_output_handling.mod mathconstants.mod periodic_table.mod atom_electronic_structure.mod kinds.mod base_hooks.mod physcon.mod atom_grb.mod atom_output.mod input_constants.mod atom_sgp.mod atom_operators.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'atom.o' due to: /build/reproducible-path/cp2k-8.1/src/atom.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_basis.mod periodic_table.mod header.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod atom_pseudo.mod atom_energy.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/atom.F atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'bsse.o' due to: /build/reproducible-path/cp2k-8.1/src/bsse.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod cp_para_types.mod qs_energy_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod cp_log_handling.mod cp2k_info.mod qs_environment.mod cp_subsys_methods.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod qs_energy.mod cp_external_control.mod string_utilities.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/bsse.F bsse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' bsse.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_env_types.mod' due to: negf_env_types.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_integr_simpson.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_integr_simpson.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod kinds.mod cp_cfm_basic_linalg.mod util.mod negf_integr_utils.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod cp_fm_basic_linalg.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_green_methods.mod' due to: negf_green_methods.o +true +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_integr_cc.mod' due to: negf_integr_cc.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_integr_simpson.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_integr_simpson.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod mathconstants.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod negf_integr_utils.mod cp_cfm_basic_linalg.mod util.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_integr_simpson.F negf_integr_simpson.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:28 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_integr_simpson.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_integr_simpson.mod' due to: negf_integr_simpson.o /build/reproducible-path/cp2k-8.1/src/negf_integr_simpson.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod kinds.mod cp_cfm_basic_linalg.mod util.mod negf_integr_utils.mod cp_fm_struct.mod base_hooks.mod mathconstants.mod cp_fm_basic_linalg.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_integr_simpson.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_integr_simpson.mod' due to: negf_integr_simpson.o /build/reproducible-path/cp2k-8.1/src/negf_integr_simpson.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_cfm_types.mod mathconstants.mod cp_fm_struct.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod negf_integr_utils.mod cp_cfm_basic_linalg.mod util.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_green_cache.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_green_cache.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod kinds.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_green_cache.F negf_green_cache.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:29 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_green_cache.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_green_cache.mod' due to: negf_green_cache.o /build/reproducible-path/cp2k-8.1/src/negf_green_cache.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_green_cache.mod' due to: negf_green_cache.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod force_env_types.mod qs_rho_types.mod cp_cfm_types.mod qs_density_mixing_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod negf_env_types.mod kpoint_types.mod cp_fm_types.mod global_types.mod cp_subsys_types.mod negf_subgroup_types.mod cp_para_types.mod negf_control_types.mod kinds.mod qs_gspace_mixing.mod message_passing.mod cp_blacs_env.mod negf_green_methods.mod negf_integr_cc.mod string_utilities.mod cp_dbcsr_operations.mod qs_mixing_utils.mod cp_fm_basic_linalg.mod cp_cfm_basic_linalg.mod bibliography.mod qs_rho_methods.mod cp_output_handling.mod cp_fm_struct.mod negf_integr_simpson.mod base_hooks.mod mathconstants.mod machine.mod physcon.mod negf_matrix_utils.mod negf_green_cache.mod cp_log_handling.mod input_constants.mod qs_ks_methods.mod qs_scf_methods.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'negf_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/negf_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod negf_control_types.mod kpoint_types.mod negf_subgroup_types.mod cp_fm_types.mod cp_cfm_types.mod negf_env_types.mod qs_environment_types.mod cp_para_types.mod qs_subsys_types.mod cp_control_types.mod qs_rho_types.mod global_types.mod force_env_types.mod cp_subsys_types.mod qs_density_mixing_types.mod cp_fm_basic_linalg.mod cp_log_handling.mod message_passing.mod qs_mixing_utils.mod negf_matrix_utils.mod bibliography.mod qs_gspace_mixing.mod cp_blacs_env.mod cp_output_handling.mod machine.mod negf_green_methods.mod qs_rho_methods.mod mathconstants.mod qs_scf_methods.mod cp_fm_struct.mod kinds.mod base_hooks.mod qs_ks_methods.mod cp_cfm_basic_linalg.mod negf_integr_cc.mod physcon.mod negf_integr_simpson.mod cp_dbcsr_operations.mod negf_green_cache.mod string_utilities.mod input_constants.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/negf_methods.F negf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:30 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' negf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_methods.F90 /build/reproducible-path/cp2k-8.1/src/negf_methods.F:1409:80: 1409 | TYPE(cp_cfm_p_type), ALLOCATABLE, DIMENSION(:, :) :: gamma_contacts_group, & @@ -48420,112 +48500,67 @@ 2946 | INTEGER :: handle, icontact, ipoint, ispin, & | ^ Warning: 'ipoint' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optbas_opt_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/optbas_opt_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod admm_types.mod cp_gemm_interface.mod kinds.mod cp_fm_diag.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optbas_opt_utils.F optbas_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' optbas_opt_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_optimize_input.o' due to: /build/reproducible-path/cp2k-8.1/src/input_optimize_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_optimize_input.F input_optimize_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:43 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_optimize_input.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_types.mod' due to: qs_tddfpt_types.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_tddfpt_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_p_env_types.mod kinds.mod cp_fm_cholesky.mod physcon.mod qs_p_env_methods.mod cp_dbcsr_operations.mod cp_log_handling.mod base_hooks.mod cp_fm_basic_linalg.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_utils.F qs_tddfpt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_utils.mod' due to: qs_tddfpt_utils.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_utils.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_tddfpt_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_p_env_types.mod kinds.mod cp_fm_cholesky.mod physcon.mod qs_p_env_methods.mod cp_dbcsr_operations.mod cp_log_handling.mod base_hooks.mod cp_fm_basic_linalg.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_eigensolver.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_eigensolver.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_tddfpt_types.mod cp_fm_pool_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_types.mod cp_para_types.mod qs_p_env_types.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod qs_p_env_methods.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod physcon.mod cp_log_handling.mod qs_tddfpt_utils.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt_eigensolver.F90 -/build/reproducible-path/cp2k-8.1/src/qs_tddfpt_eigensolver.F:310:24: - - 310 | ELSE IF (mode == 'D') THEN - | ^ -Warning: 'mode[1]{lb: 1 sz: 1}' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_eigensolver.mod' due to: qs_tddfpt_eigensolver.o /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_eigensolver.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_tddfpt_types.mod cp_fm_pool_types.mod cp_control_types.mod qs_environment_types.mod cp_fm_types.mod cp_para_types.mod qs_p_env_types.mod kinds.mod cp_blacs_env.mod cp_fm_diag.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod qs_p_env_methods.mod cp_fm_struct.mod base_hooks.mod qs_matrix_pools.mod physcon.mod cp_log_handling.mod qs_tddfpt_utils.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_module.o' due to: /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_module.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 qs_energy_types.mod qs_tddfpt_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_p_env_types.mod bibliography.mod cp_output_handling.mod base_hooks.mod cp_log_handling.mod header.mod qs_tddfpt_utils.mod qs_tddfpt_eigensolver.mod xc_pot_saop.mod input_constants.mod qs_ks_methods.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/qs_tddfpt_module.F qs_tddfpt_module.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' qs_tddfpt_module.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optbas_fenv_manipulation.mod' due to: optbas_fenv_manipulation.o -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_basis_utils.mod' due to: optimize_basis_utils.o -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optbas_opt_utils.mod' due to: optbas_opt_utils.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'optimize_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/optimize_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod optimize_basis_types.mod cp_fm_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_blacs_env.mod optbas_fenv_manipulation.mod admm_methods.mod qs_neighbor_lists.mod input_cp2k_read.mod base_hooks.mod machine.mod cp_para_env.mod optimize_basis_utils.mod f77_interface.mod cp_log_handling.mod powell.mod optbas_opt_utils.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/optimize_basis.F optimize_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' optimize_basis.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mao_types.o' due to: /build/reproducible-path/cp2k-8.1/src/mao_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mao_types.F mao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mao_types.F90 -/build/reproducible-path/cp2k-8.1/src/mao_types.F:38:29: - - 38 | SUBROUTINE create_mao_type(mao_env) - | ^ -Warning: 'create_mao_type' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'farming_types.o' due to: /build/reproducible-path/cp2k-8.1/src/farming_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/farming_types.F farming_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:50:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' farming_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'farming_types.mod' due to: farming_types.o /build/reproducible-path/cp2k-8.1/src/farming_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'farming_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/farming_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod farming_types.mod cp_para_types.mod cp_files.mod message_passing.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/farming_methods.F farming_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:00 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' farming_methods.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'bsse.o' due to: /build/reproducible-path/cp2k-8.1/src/bsse.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod qs_energy_types.mod force_env_types.mod qs_environment_types.mod input_section_types.mod particle_list_types.mod cell_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod string_utilities.mod cp_external_control.mod cp_subsys_methods.mod cp_output_handling.mod qs_energy.mod base_hooks.mod cp_log_handling.mod memory_utilities.mod input_constants.mod qs_environment.mod cp2k_info.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/bsse.F bsse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' bsse.F90 -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'sockets.o' due to: /build/reproducible-path/cp2k-8.1/src/sockets.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_debug.o' due to: /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod kinds.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod base_hooks.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/semi_empirical_int_debug.F semi_empirical_int_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_debug.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_optimize_basis.o' due to: /build/reproducible-path/cp2k-8.1/src/input_optimize_basis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/input_optimize_basis.F input_optimize_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_optimize_basis.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mscfg_methods.o' due to: /build/reproducible-path/cp2k-8.1/src/mscfg_methods.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod mscfg_types.mod qs_mo_types.mod almo_scf_types.mod molecule_types.mod cp_para_types.mod qs_energy_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod cp_log_handling.mod qs_environment.mod cp_subsys_methods.mod kinds.mod base_hooks.mod qs_energy.mod cp_dbcsr_operations.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/mscfg_methods.F mscfg_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/reproducible-path/cp2k-8.1/src/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mscfg_methods.F90 +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'sockets.o' due to: /build/reproducible-path/cp2k-8.1/src/sockets.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/sockets.c -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmain.a' due to: qs_integrate_potential.o stm_images.o sap_kind_types.o rel_control_types.o xas_tdp_types.o negf_integr_utils.o qmmm_gpw_forces.o atoms_input.o qs_fb_atomic_halo_types.o qs_linres_polar_utils.o dm_ls_scf_create.o semi_empirical_int_debug.o pao_main.o embed_main.o mscfg_methods.o pao_methods.o qs_fb_distribution_methods.o qs_force.o mp2.o mao_methods.o manybody_potential.o atom_grb.o input_cp2k_atom.o input_cp2k_dft.o atom_pseudo.o xc_write_output.o paw_proj_set_types.o optimize_basis_types.o atom.o qs_dispersion_types.o qs_dispersion_nonloc.o lri_ks_methods.o qs_scf.o qs_wf_history_methods.o qs_scf_post_scf.o force_env_methods.o qs_dispersion_pairpot.o qs_energy.o pao_linpot_full.o beta_gamma_psi.o input_cp2k_external.o input_cp2k_mp2.o qs_cdft_opt_types.o optimize_input.o ipi_driver.o qs_tddfpt_types.o gle_system_types.o mp2_optimize_ri_basis.o ec_efield_local.o integration_grid_types.o mode_selective.o input_cp2k_mixed.o optimize_basis_utils.o qs_rho0_methods.o mao_basis.o semi_empirical_int_ana.o restraint.o wannier90.o kpoint_io.o qs_tensors.o qs_energy_utils.o pao_types.o hfx_ri.o qs_external_density.o mao_optimizer.o fist_neighbor_lists.o qs_collocate_density.o rpa_gw_kpoints.o pao_io.o mixed_cdft_types.o qs_subsys_methods.o qs_linres_nmr_utils.o fist_force.o shg_integrals_test.o cp_realspace_grid_init.o ls_matrix_exp.o dm_ls_scf_qs.o maxwell_solver_interface.o qs_vxc_atom.o graphcon.o fist_neighbor_list_types.o xc_adiabatic_methods.o qs_fb_trial_fns_types.o global_types.o input_cp2k_loc.o rpa_gw.o pexsi_interface.o qs_linres_types.o qs_gcp_utils.o efield_utils.o constraint_clv.o semi_empirical_types.o mp2_ri_libint.o pao_param_linpot.o cp_dbcsr_diag.o pao_ml_gaussprocess.o mp2_ri_grad.o cp_gemm_interface.o qs_efield_berry.o rt_propagation_types.o qs_moments.o atom_operators.o qs_neighbor_lists.o qs_local_rho_types.o nnp_model.o force_env_types.o subcell_types.o rtp_admm_methods.o environment.o qs_scf_output.o xas_tdp_correction.o qs_condnum.o outer_scf_control_types.o force_fields_util.o cp_control_utils.o kpoint_types.o input_optimize_basis.o commutator_rpnl.o qs_integrate_potential_product.o pair_potential.o qs_linres_atom_current.o input_cp2k_ec.o qs_dftb_types.o input_cp2k_properties_dft.o splines_types.o library_tests.o admm_utils.o pw_poisson_read_input.o manybody_tersoff.o input_cp2k_read.o taper_types.o admm_dm_methods.o voronoi_interface.o qs_external_potential.o qs_ks_methods.o qmmm_se_energy.o ewald_methods_tb.o qs_period_efield_types.o se_fock_matrix_exchange.o free_energy_types.o input_cp2k_eip.o qs_harmonics_atom.o atom_xc.o qs_cdft_utils.o commutator_rkinetic.o topology_xtl.o fp_types.o manybody_quip.o input_cp2k_free_energy.o rpa_util.o force_field_types.o qs_tddfpt2_operators.o mao_wfn_analysis.o optimize_embedding_potential.o xtb_ehess.o qs_rho_methods.o qs_tddfpt2_eigensolver.o qmmm_gpw_energy.o ec_environment.o ri_environment_methods.o qs_dftb_utils.o topology_amber.o lri_forces.o qs_loc_types.o dm_ls_scf_types.o libint_wrapper.o qs_initial_guess.o preconditioner.o fist_pol_scf.o input_cp2k_atprop.o cp2k_info.o kpoint_coulomb_2c.o qs_kpp1_env_types.o embed_environment.o qs_localization_methods.o qs_dispersion_utils.o manybody_siepmann.o dm_ls_scf_curvy.o qs_mom_types.o input_cp2k_resp.o motion_utils.o hfx_energy_potential.o qmmm_topology_util.o input_restart_rng.o qs_gcp_method.o colvar_utils.o qmmm_per_elpot.o mp2_types.o atom_fit.o qmmm_tb_methods.o qmmm_util.o input_cp2k_check.o cp_dbcsr_output.o qs_neighbor_list_types.o pair_potential_types.o wannier_states.o xas_env_types.o cp2k_debug.o qs_linres_op.o localization_tb.o input_cp2k_hfx.o negf_alloc_types.o semi_empirical_int_arrays.o qs_tddfpt2_densities.o negf_atom_map.o qs_scf_post_tb.o input_cp2k_motion_print.o rpa_im_time.o replica_types.o se_core_matrix.o hfx_derivatives.o qmmmx_types.o qmmm_types_low.o qs_p_env_methods.o qs_core_energies.o qs_fb_matrix_data_types.o input_cp2k_restarts_util.o qs_kpp1_env_methods.o debug_os_integrals.o semi_empirical_mpole_types.o qs_scf_loop_utils.o topology_cif.o cp_dbcsr_cholesky.o surface_dipole.o qs_ks_qmmm_methods.o qs_update_s_mstruct.o submatrix_types.o qs_rho_types.o qs_energy_window.o kg_correction.o manybody_eam.o pao_param_gth.o distribution_methods.o pilaenv_hack.o optbas_fenv_manipulation.o input_cp2k_field.o topology_input.o xas_methods.o atom_utils.o qs_scf_initialization.o negf_control_types.o qs_fb_hash_table_types.o input_cp2k_thermostats.o manybody_gal.o ct_types.o ewald_spline_util.o cp_dbcsr_cp2k_link.o fist_neighbor_list_control.o xc_adiabatic_utils.o qs_spin_orbit.o qs_dftb3_methods.o hfx_compression_methods.o semi_empirical_parameters.o constraint.o transport.o splines_methods.o qs_linres_nmr_epr_common_utils.o group_dist_types.o qs_cdft_methods.o input_cp2k_poisson.o pme.o almo_scf_env_methods.o qs_grid_atom.o qmmm_tb_coulomb.o almo_scf_lbfgs_types.o minbas_methods.o qs_fb_input.o qs_charge_mixing.o qmmm_force.o hfx_libint_interface.o topology_gromos.o ewald_environment_types.o qs_vxc.o admm_types.o input_constants.o topology_cp2k.o nnp_environment.o negf_matrix_utils.o population_analyses.o hfx_admm_utils.o mp2_gpw.o qs_linres_current.o atom_admm_methods.o xas_control.o qs_matrix_pools.o input_cp2k_negf.o et_coupling_types.o qs_integral_utils.o fist_nonbond_force.o extended_system_types.o input_cp2k_binary_restarts.o qs_tddfpt2_utils.o mixed_cdft_utils.o libint_2c_3c.o ec_env_types.o xtb_parameters.o rpa_gw_im_time_util.o qs_linres_module.o input_cp2k_constraints.o qmmm_init.o qmmmx_util.o negf_green_methods.o se_fock_matrix_dbg.o molden_utils.o qs_ot.o mixed_environment_types.o exclusion_types.o qs_efield_local.o atomic_charges.o negf_methods.o input_restart_force_eval.o qs_basis_gradient.o semi_empirical_integrals.o core_ae.o mscfg_types.o atom_kind_orbitals.o input_cp2k_distribution.o cryssym.o al_system_types.o mp2_gpw_method.o cp_ddapc_types.o matrix_exp.o optbas_opt_utils.o mp2_ri_grad_util.o cp_subsys_methods.o se_core_core.o qs_linres_epr_nablavks.o qs_tddfpt2_properties.o qs_cdft_types.o ewald_pw_types.o input_optimize_input.o xc_pot_saop.o qmmm_gaussian_types.o optimize_dmfet_potential.o qs_tddfpt_module.o wannier_states_types.o dm_ls_scf_methods.o xas_tdp_integrals.o hfx_pw_methods.o qs_epr_hyp.o pair_potential_coulomb.o qs_kinetic.o qs_overlap.o qs_subsys_types.o qs_operators_ao.o qs_tddfpt2_types.o fp_methods.o qs_cdft_scf_utils.o rpa_main.o cell_methods.o mol_force.o spme.o nnp_force.o input_cp2k_rsgrid.o qs_mixing_utils.o input_cp2k_embed.o qs_oce_types.o topology_psf.o lri_environment_types.o pao_param.o pao_param_exp.o particle_methods.o task_list_types.o qs_ks_apply_restraints.o constraint_fxd.o qs_dftb_matrices.o xas_tdp_kernel.o mp2_ri_2c.o et_coupling.o fist_environment_types.o energy_corrections.o sirius_interface.o rpa_gw_ic.o pao_input.o molsym.o molecular_moments.o colvar_methods.o qmmm_pw_grid.o qs_elf_methods.o se_fock_matrix_coulomb.o qs_gcp_types.o qs_ks_types.o scf_control_types.o qs_linres_nmr_shift.o qs_dftb_parameters.o kg_environment_types.o qs_ks_utils.o qmmm_ff_fist.o transport_env_types.o qmmmx_force.o rpa_communication.o qs_ks_atom.o basis_set_output.o hfx_helpers.o qs_scf_csr_write.o core_ppl.o qs_linres_current_utils.o qs_fb_env_methods.o qs_scf_lanczos.o almo_scf_types.o mp2_ri_gpw.o metadynamics_utils.o admm_dm_types.o eip_environment_types.o pw_env_methods.o se_fock_matrix.o ct_methods.o ewald_pw_methods.o xtb_coulomb.o almo_scf_qs.o admm_methods.o atom_types.o negf_subgroup_types.o mp2_eri_gpw.o qs_active_space_types.o qs_dftb_dispersion.o topology_coordinate_util.o optimize_basis.o xas_tdp_atom.o qs_linres_epr_ownutils.o atom_basis.o qs_wannier90.o qs_loc_utils.o mao_types.o qs_scf_diagonalization.o scine_utils.o qmmmx_update.o qmmm_gaussian_input.o force_env_utils.o qs_band_structure.o ewalds.o qs_scf_wfn_mix.o input_cp2k_nnp.o qs_wf_history_types.o input_cp2k_transport.o qs_tddfpt_eigensolver.o cp_external_control.o hfx_pair_list_methods.o topology.o preconditioner_apply.o qs_rho0_types.o hartree_local_types.o semi_empirical_mpole_methods.o mp2_eri.o cp_dbcsr_operations.o qs_mo_types.o qs_local_properties.o bse.o topology_types.o hfx_communication.o cp_ddapc.o fist_efield_types.o qs_mom_methods.o pwdft_environment_types.o dkh_main.o lri_integrals.o qs_tddfpt2_subgroups.o xas_restart.o qs_ot_minimizer.o input_cp2k_colvar.o qs_loc_methods.o qs_block_davidson_types.o qs_charges_types.o qmmm_gaussian_data.o domain_submatrix_methods.o qmmm_se_forces.o pao_param_fock.o qs_oce_methods.o qs_gapw_densities.o qs_linres_issc_utils.o lri_environment_init.o cp_eri_mme_interface.o input_cp2k_pwdft.o preconditioner_solvers.o hfx_screening_methods.o atom_upf.o mp2_setup.o semi_empirical_int_utils.o qs_elec_field.o metadynamics_types.o response_solver.o qs_tddfpt_utils.o input_cp2k_global.o pair_potential_util.o metadynamics.o qs_pdos.o rpa_axk.o linesearch.o rmsd.o qs_hash_table_functions.o qs_electric_field_gradient.o mixed_environment_utils.o qmmmx_create.o qmmm_elpot.o kg_environment.o qs_tddfpt2_stda_utils.o negf_integr_simpson.o force_fields_input.o force_fields_all.o pao_optimizer.o preconditioner_makes.o fist_energy_types.o hfx_load_balance_methods.o qs_gspace_mixing.o cp_control_types.o kg_tnadd_mat.o qs_tddfpt2_restart.o dm_ls_chebyshev.o qs_energy_init.o qs_energy_matrix_w.o almo_scf_methods.o constraint_4x6.o qs_tddfpt2_methods.o pexsi_methods.o pao_potentials.o qs_fb_atomic_matrix_methods.o hfx_types.o pao_ml.o fist_efield_methods.o input_cp2k_neb.o hirshfeld_types.o mp2_direct_method.o mp2_cphf.o statistical_methods.o cp_ddapc_util.o qs_dos.o constraint_util.o cp_ddapc_methods.o topology_xyz.o qmmm_create.o generic_os_integrals.o semi_empirical_utils.o farming_methods.o cp_realspace_grid_cube.o lri_compression.o qs_p_env_types.o xtb_matrices.o qs_resp.o qs_environment_methods.o qs_diis.o constraint_3x3.o atom_energy.o ewalds_multipole.o semi_empirical_int3_utils.o fermi_utils.o qs_o3c_methods.o mixed_environment.o qs_nl_hash_table_types.o qs_active_space_methods.o molecular_states.o negf_env_types.o xas_tdp_methods.o fist_environment.o embed_types.o qs_tddfpt2_stda_types.o atom_electronic_structure.o kpoint_transitional.o rpa_rse.o qs_loc_molecules.o force_fields_ext.o qs_integrate_potential_single.o qs_ot_types.o dft_plus_u.o qmmm_links_methods.o qs_rho_atom_methods.o qs_linres_epr_utils.o topology_util.o negf_vectors.o block_p_types.o f77_interface.o qs_mo_methods.o qs_scf_post_gpw.o eip_environment.o semi_empirical_store_int_types.o topology_connectivity_util.o mp2_laplace.o negf_integr_cc.o virial_methods.o atom_sgp.o qs_sccs.o dm_ls_scf.o input_cp2k_xc.o se_fock_matrix_integrals.o atom_optimization.o input_cp2k_tb.o csvr_system_types.o hirshfeld_methods.o eip_silicon.o semi_empirical_par_utils.o bsse.o qs_ks_qmmm_types.o input_cp2k_kpoints.o mulliken.o pexsi_types.o mixed_energy_types.o almo_scf.o kpoint_methods.o xray_diffraction.o qs_tddfpt2_fhxc.o topology_pdb.o input_cp2k_mm.o pao_linpot_rotinv.o qs_core_hamiltonian.o topology_generate_util.o qs_rho_atom_types.o constraint_vsite.o semi_empirical_expns3_methods.o qs_environment.o qs_chargemol.o cp_symmetry.o qs_ot_scf.o qs_outer_scf.o mdctrl_types.o topology_multiple_unit_cell.o qs_scf_block_davidson.o qs_scf_methods.o qs_commutators.o qs_loc_dipole.o farming_types.o simpar_types.o pwdft_environment.o uff_vdw_radii_table.o input_cp2k_subsys.o xas_tp_scf.o lri_optimize_ri_basis_types.o lri_optimize_ri_basis.o nnp_environment_types.o kg_vertex_coloring_methods.o xtb_types.o input_cp2k_almo.o qs_mo_io.o input_cp2k_qmmm.o almo_scf_diis_types.o qs_ot_eigensolver.o submatrix_dissection.o pme_tools.o qs_o3c_types.o fist_main.o fist_nonbond_env_types.o rt_propagation_forces.o qs_loc_states.o mp2_grids.o force_fields.o header.o pao_ml_descriptor.o qs_force_types.o qs_fermi_contact.o qs_scf_types.o mm_collocate_potential.o efield_tb_methods.o csvr_system_utils.o grrm_utils.o qs_kind_types.o replica_methods.o pao_ml_neuralnet.o qmmm_image_charge.o distribution_2d_types.o xas_tdp_utils.o auto_basis.o spglib_f08.o qs_rho0_ggrid.o semi_empirical_expns3_types.o qs_fb_com_tasks_types.o iterate_matrix.o qs_fb_filter_matrix_methods.o qs_scf_post_se.o qs_dftb_coulomb.o negf_green_cache.o lri_environment_methods.o qs_environment_types.o qs_gamma2kp.o qs_diis_types.o qs_fb_buffer_types.o preconditioner_types.o s_square_methods.o qs_density_mixing_types.o cp_ddapc_forces.o qmmm_types.o qs_mo_occupation.o hartree_local_methods.o moments_utils.o rpa_kpoints.o qs_fb_env_types.o core_ppnl.o fist_intra_force.o mm_mapping_library.o et_coupling_proj.o atom_output.o topology_constraint_util.o input_cp2k_force_eval.o qs_tensors_types.o qmmm_gaussian_init.o domain_submatrix_types.o mp2_integrals.o semi_empirical_int_num.o molecular_dipoles.o mixed_cdft_methods.o mixed_main.o input_cp2k_ls.o almo_scf_optimizer.o qs_linres_methods.o qs_energy_types.o nnp_acsf.o task_list_methods.o qs_interactions.o minbas_wfn_analysis.o external_potential_methods.o semi_empirical_int_gks.o sockets.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmain.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmain.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmain.a qs_integrate_potential.o stm_images.o sap_kind_types.o rel_control_types.o xas_tdp_types.o negf_integr_utils.o qmmm_gpw_forces.o atoms_input.o qs_fb_atomic_halo_types.o qs_linres_polar_utils.o dm_ls_scf_create.o semi_empirical_int_debug.o pao_main.o embed_main.o mscfg_methods.o pao_methods.o qs_fb_distribution_methods.o qs_force.o mp2.o mao_methods.o manybody_potential.o atom_grb.o input_cp2k_atom.o input_cp2k_dft.o atom_pseudo.o xc_write_output.o paw_proj_set_types.o optimize_basis_types.o atom.o qs_dispersion_types.o qs_dispersion_nonloc.o lri_ks_methods.o qs_scf.o qs_wf_history_methods.o qs_scf_post_scf.o force_env_methods.o qs_dispersion_pairpot.o qs_energy.o pao_linpot_full.o beta_gamma_psi.o input_cp2k_external.o input_cp2k_mp2.o qs_cdft_opt_types.o optimize_input.o ipi_driver.o qs_tddfpt_types.o gle_system_types.o mp2_optimize_ri_basis.o ec_efield_local.o integration_grid_types.o mode_selective.o input_cp2k_mixed.o optimize_basis_utils.o qs_rho0_methods.o mao_basis.o semi_empirical_int_ana.o restraint.o wannier90.o kpoint_io.o qs_tensors.o qs_energy_utils.o pao_types.o hfx_ri.o qs_external_density.o mao_optimizer.o fist_neighbor_lists.o qs_collocate_density.o rpa_gw_kpoints.o pao_io.o mixed_cdft_types.o qs_subsys_methods.o qs_linres_nmr_utils.o fist_force.o shg_integrals_test.o cp_realspace_grid_init.o ls_matrix_exp.o dm_ls_scf_qs.o maxwell_solver_interface.o qs_vxc_atom.o graphcon.o fist_neighbor_list_types.o xc_adiabatic_methods.o qs_fb_trial_fns_types.o global_types.o input_cp2k_loc.o rpa_gw.o pexsi_interface.o qs_linres_types.o qs_gcp_utils.o efield_utils.o constraint_clv.o semi_empirical_types.o mp2_ri_libint.o pao_param_linpot.o cp_dbcsr_diag.o pao_ml_gaussprocess.o mp2_ri_grad.o cp_gemm_interface.o qs_efield_berry.o rt_propagation_types.o qs_moments.o atom_operators.o qs_neighbor_lists.o qs_local_rho_types.o nnp_model.o force_env_types.o subcell_types.o rtp_admm_methods.o environment.o qs_scf_output.o xas_tdp_correction.o qs_condnum.o outer_scf_control_types.o force_fields_util.o cp_control_utils.o kpoint_types.o input_optimize_basis.o commutator_rpnl.o qs_integrate_potential_product.o pair_potential.o qs_linres_atom_current.o input_cp2k_ec.o qs_dftb_types.o input_cp2k_properties_dft.o splines_types.o library_tests.o admm_utils.o pw_poisson_read_input.o manybody_tersoff.o input_cp2k_read.o taper_types.o admm_dm_methods.o voronoi_interface.o qs_external_potential.o qs_ks_methods.o qmmm_se_energy.o ewald_methods_tb.o qs_period_efield_types.o se_fock_matrix_exchange.o free_energy_types.o input_cp2k_eip.o qs_harmonics_atom.o atom_xc.o qs_cdft_utils.o commutator_rkinetic.o topology_xtl.o fp_types.o manybody_quip.o input_cp2k_free_energy.o rpa_util.o force_field_types.o qs_tddfpt2_operators.o mao_wfn_analysis.o optimize_embedding_potential.o xtb_ehess.o qs_rho_methods.o qs_tddfpt2_eigensolver.o qmmm_gpw_energy.o ec_environment.o ri_environment_methods.o qs_dftb_utils.o topology_amber.o lri_forces.o qs_loc_types.o dm_ls_scf_types.o libint_wrapper.o qs_initial_guess.o preconditioner.o fist_pol_scf.o input_cp2k_atprop.o cp2k_info.o kpoint_coulomb_2c.o qs_kpp1_env_types.o embed_environment.o qs_localization_methods.o qs_dispersion_utils.o manybody_siepmann.o dm_ls_scf_curvy.o qs_mom_types.o input_cp2k_resp.o motion_utils.o hfx_energy_potential.o qmmm_topology_util.o input_restart_rng.o qs_gcp_method.o colvar_utils.o qmmm_per_elpot.o mp2_types.o atom_fit.o qmmm_tb_methods.o qmmm_util.o input_cp2k_check.o cp_dbcsr_output.o qs_neighbor_list_types.o pair_potential_types.o wannier_states.o xas_env_types.o cp2k_debug.o qs_linres_op.o localization_tb.o input_cp2k_hfx.o negf_alloc_types.o semi_empirical_int_arrays.o qs_tddfpt2_densities.o negf_atom_map.o qs_scf_post_tb.o input_cp2k_motion_print.o rpa_im_time.o replica_types.o se_core_matrix.o hfx_derivatives.o qmmmx_types.o qmmm_types_low.o qs_p_env_methods.o qs_core_energies.o qs_fb_matrix_data_types.o input_cp2k_restarts_util.o qs_kpp1_env_methods.o debug_os_integrals.o semi_empirical_mpole_types.o qs_scf_loop_utils.o topology_cif.o cp_dbcsr_cholesky.o surface_dipole.o qs_ks_qmmm_methods.o qs_update_s_mstruct.o submatrix_types.o qs_rho_types.o qs_energy_window.o kg_correction.o manybody_eam.o pao_param_gth.o distribution_methods.o pilaenv_hack.o optbas_fenv_manipulation.o input_cp2k_field.o topology_input.o xas_methods.o atom_utils.o qs_scf_initialization.o negf_control_types.o qs_fb_hash_table_types.o input_cp2k_thermostats.o manybody_gal.o ct_types.o ewald_spline_util.o cp_dbcsr_cp2k_link.o fist_neighbor_list_control.o xc_adiabatic_utils.o qs_spin_orbit.o qs_dftb3_methods.o hfx_compression_methods.o semi_empirical_parameters.o constraint.o transport.o splines_methods.o qs_linres_nmr_epr_common_utils.o group_dist_types.o qs_cdft_methods.o input_cp2k_poisson.o pme.o almo_scf_env_methods.o qs_grid_atom.o qmmm_tb_coulomb.o almo_scf_lbfgs_types.o minbas_methods.o qs_fb_input.o qs_charge_mixing.o qmmm_force.o hfx_libint_interface.o topology_gromos.o ewald_environment_types.o qs_vxc.o admm_types.o input_constants.o topology_cp2k.o nnp_environment.o negf_matrix_utils.o population_analyses.o hfx_admm_utils.o mp2_gpw.o qs_linres_current.o atom_admm_methods.o xas_control.o qs_matrix_pools.o input_cp2k_negf.o et_coupling_types.o qs_integral_utils.o fist_nonbond_force.o extended_system_types.o input_cp2k_binary_restarts.o qs_tddfpt2_utils.o mixed_cdft_utils.o libint_2c_3c.o ec_env_types.o xtb_parameters.o rpa_gw_im_time_util.o qs_linres_module.o input_cp2k_constraints.o qmmm_init.o qmmmx_util.o negf_green_methods.o se_fock_matrix_dbg.o molden_utils.o qs_ot.o mixed_environment_types.o exclusion_types.o qs_efield_local.o atomic_charges.o negf_methods.o input_restart_force_eval.o qs_basis_gradient.o semi_empirical_integrals.o core_ae.o mscfg_types.o atom_kind_orbitals.o input_cp2k_distribution.o cryssym.o al_system_types.o mp2_gpw_method.o cp_ddapc_types.o matrix_exp.o optbas_opt_utils.o mp2_ri_grad_util.o cp_subsys_methods.o se_core_core.o qs_linres_epr_nablavks.o qs_tddfpt2_properties.o qs_cdft_types.o ewald_pw_types.o input_optimize_input.o xc_pot_saop.o qmmm_gaussian_types.o optimize_dmfet_potential.o qs_tddfpt_module.o wannier_states_types.o dm_ls_scf_methods.o xas_tdp_integrals.o hfx_pw_methods.o qs_epr_hyp.o pair_potential_coulomb.o qs_kinetic.o qs_overlap.o qs_subsys_types.o qs_operators_ao.o qs_tddfpt2_types.o fp_methods.o qs_cdft_scf_utils.o rpa_main.o cell_methods.o mol_force.o spme.o nnp_force.o input_cp2k_rsgrid.o qs_mixing_utils.o input_cp2k_embed.o qs_oce_types.o topology_psf.o lri_environment_types.o pao_param.o pao_param_exp.o particle_methods.o task_list_types.o qs_ks_apply_restraints.o constraint_fxd.o qs_dftb_matrices.o xas_tdp_kernel.o mp2_ri_2c.o et_coupling.o fist_environment_types.o energy_corrections.o sirius_interface.o rpa_gw_ic.o pao_input.o molsym.o molecular_moments.o colvar_methods.o qmmm_pw_grid.o qs_elf_methods.o se_fock_matrix_coulomb.o qs_gcp_types.o qs_ks_types.o scf_control_types.o qs_linres_nmr_shift.o qs_dftb_parameters.o kg_environment_types.o qs_ks_utils.o qmmm_ff_fist.o transport_env_types.o qmmmx_force.o rpa_communication.o qs_ks_atom.o basis_set_output.o hfx_helpers.o qs_scf_csr_write.o core_ppl.o qs_linres_current_utils.o qs_fb_env_methods.o qs_scf_lanczos.o almo_scf_types.o mp2_ri_gpw.o metadynamics_utils.o admm_dm_types.o eip_environment_types.o pw_env_methods.o se_fock_matrix.o ct_methods.o ewald_pw_methods.o xtb_coulomb.o almo_scf_qs.o admm_methods.o atom_types.o negf_subgroup_types.o mp2_eri_gpw.o qs_active_space_types.o qs_dftb_dispersion.o topology_coordinate_util.o optimize_basis.o xas_tdp_atom.o qs_linres_epr_ownutils.o atom_basis.o qs_wannier90.o qs_loc_utils.o mao_types.o qs_scf_diagonalization.o scine_utils.o qmmmx_update.o qmmm_gaussian_input.o force_env_utils.o qs_band_structure.o ewalds.o qs_scf_wfn_mix.o input_cp2k_nnp.o qs_wf_history_types.o input_cp2k_transport.o qs_tddfpt_eigensolver.o cp_external_control.o hfx_pair_list_methods.o topology.o preconditioner_apply.o qs_rho0_types.o hartree_local_types.o semi_empirical_mpole_methods.o mp2_eri.o cp_dbcsr_operations.o qs_mo_types.o qs_local_properties.o bse.o topology_types.o hfx_communication.o cp_ddapc.o fist_efield_types.o qs_mom_methods.o pwdft_environment_types.o dkh_main.o lri_integrals.o qs_tddfpt2_subgroups.o xas_restart.o qs_ot_minimizer.o input_cp2k_colvar.o qs_loc_methods.o qs_block_davidson_types.o qs_charges_types.o qmmm_gaussian_data.o domain_submatrix_methods.o qmmm_se_forces.o pao_param_fock.o qs_oce_methods.o qs_gapw_densities.o qs_linres_issc_utils.o lri_environment_init.o cp_eri_mme_interface.o input_cp2k_pwdft.o preconditioner_solvers.o hfx_screening_methods.o atom_upf.o mp2_setup.o semi_empirical_int_utils.o qs_elec_field.o metadynamics_types.o response_solver.o qs_tddfpt_utils.o input_cp2k_global.o pair_potential_util.o metadynamics.o qs_pdos.o rpa_axk.o linesearch.o rmsd.o qs_hash_table_functions.o qs_electric_field_gradient.o mixed_environment_utils.o qmmmx_create.o qmmm_elpot.o kg_environment.o qs_tddfpt2_stda_utils.o negf_integr_simpson.o force_fields_input.o force_fields_all.o pao_optimizer.o preconditioner_makes.o fist_energy_types.o hfx_load_balance_methods.o qs_gspace_mixing.o cp_control_types.o kg_tnadd_mat.o qs_tddfpt2_restart.o dm_ls_chebyshev.o qs_energy_init.o qs_energy_matrix_w.o almo_scf_methods.o constraint_4x6.o qs_tddfpt2_methods.o pexsi_methods.o pao_potentials.o qs_fb_atomic_matrix_methods.o hfx_types.o pao_ml.o fist_efield_methods.o input_cp2k_neb.o hirshfeld_types.o mp2_direct_method.o mp2_cphf.o statistical_methods.o cp_ddapc_util.o qs_dos.o constraint_util.o cp_ddapc_methods.o topology_xyz.o qmmm_create.o generic_os_integrals.o semi_empirical_utils.o farming_methods.o cp_realspace_grid_cube.o lri_compression.o qs_p_env_types.o xtb_matrices.o qs_resp.o qs_environment_methods.o qs_diis.o constraint_3x3.o atom_energy.o ewalds_multipole.o semi_empirical_int3_utils.o fermi_utils.o qs_o3c_methods.o mixed_environment.o qs_nl_hash_table_types.o qs_active_space_methods.o molecular_states.o negf_env_types.o xas_tdp_methods.o fist_environment.o embed_types.o qs_tddfpt2_stda_types.o atom_electronic_structure.o kpoint_transitional.o rpa_rse.o qs_loc_molecules.o force_fields_ext.o qs_integrate_potential_single.o qs_ot_types.o dft_plus_u.o qmmm_links_methods.o qs_rho_atom_methods.o qs_linres_epr_utils.o topology_util.o negf_vectors.o block_p_types.o f77_interface.o qs_mo_methods.o qs_scf_post_gpw.o eip_environment.o semi_empirical_store_int_types.o topology_connectivity_util.o mp2_laplace.o negf_integr_cc.o virial_methods.o atom_sgp.o qs_sccs.o dm_ls_scf.o input_cp2k_xc.o se_fock_matrix_integrals.o atom_optimization.o input_cp2k_tb.o csvr_system_types.o hirshfeld_methods.o eip_silicon.o semi_empirical_par_utils.o bsse.o qs_ks_qmmm_types.o input_cp2k_kpoints.o mulliken.o pexsi_types.o mixed_energy_types.o almo_scf.o kpoint_methods.o xray_diffraction.o qs_tddfpt2_fhxc.o topology_pdb.o input_cp2k_mm.o pao_linpot_rotinv.o qs_core_hamiltonian.o topology_generate_util.o qs_rho_atom_types.o constraint_vsite.o semi_empirical_expns3_methods.o qs_environment.o qs_chargemol.o cp_symmetry.o qs_ot_scf.o qs_outer_scf.o mdctrl_types.o topology_multiple_unit_cell.o qs_scf_block_davidson.o qs_scf_methods.o qs_commutators.o qs_loc_dipole.o farming_types.o simpar_types.o pwdft_environment.o uff_vdw_radii_table.o input_cp2k_subsys.o xas_tp_scf.o lri_optimize_ri_basis_types.o lri_optimize_ri_basis.o nnp_environment_types.o kg_vertex_coloring_methods.o xtb_types.o input_cp2k_almo.o qs_mo_io.o input_cp2k_qmmm.o almo_scf_diis_types.o qs_ot_eigensolver.o submatrix_dissection.o pme_tools.o qs_o3c_types.o fist_main.o fist_nonbond_env_types.o rt_propagation_forces.o qs_loc_states.o mp2_grids.o force_fields.o header.o pao_ml_descriptor.o qs_force_types.o qs_fermi_contact.o qs_scf_types.o mm_collocate_potential.o efield_tb_methods.o csvr_system_utils.o grrm_utils.o qs_kind_types.o replica_methods.o pao_ml_neuralnet.o qmmm_image_charge.o distribution_2d_types.o xas_tdp_utils.o auto_basis.o spglib_f08.o qs_rho0_ggrid.o semi_empirical_expns3_types.o qs_fb_com_tasks_types.o iterate_matrix.o qs_fb_filter_matrix_methods.o qs_scf_post_se.o qs_dftb_coulomb.o negf_green_cache.o lri_environment_methods.o qs_environment_types.o qs_gamma2kp.o qs_diis_types.o qs_fb_buffer_types.o preconditioner_types.o s_square_methods.o qs_density_mixing_types.o cp_ddapc_forces.o qmmm_types.o qs_mo_occupation.o hartree_local_methods.o moments_utils.o rpa_kpoints.o qs_fb_env_types.o core_ppnl.o fist_intra_force.o mm_mapping_library.o et_coupling_proj.o atom_output.o topology_constraint_util.o input_cp2k_force_eval.o qs_tensors_types.o qmmm_gaussian_init.o domain_submatrix_types.o mp2_integrals.o semi_empirical_int_num.o molecular_dipoles.o mixed_cdft_methods.o mixed_main.o input_cp2k_ls.o almo_scf_optimizer.o qs_linres_methods.o qs_energy_types.o nnp_acsf.o task_list_methods.o qs_interactions.o minbas_wfn_analysis.o external_potential_methods.o semi_empirical_int_gks.o sockets.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmain.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrarnoldi.a' due to: arnoldi_geev.o arnoldi_types.o arnoldi_api.o arnoldi_data_methods.o arnoldi_methods.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrarnoldi.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrarnoldi.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrarnoldi.a arnoldi_geev.o arnoldi_types.o arnoldi_api.o arnoldi_data_methods.o arnoldi_methods.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrarnoldi.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrx.a' due to: dbcsr_vector.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrx.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrx.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrx.a dbcsr_vector.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrx.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kshg_int.a' due to: generic_shg_integrals_init.o s_contract_shg.o generic_shg_integrals.o constants_operator.o construct_shg.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kshg_int.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kshg_int.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kshg_int.a generic_shg_integrals_init.o s_contract_shg.o generic_shg_integrals.o constants_operator.o construct_shg.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kshg_int.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2keri_mme.a' due to: eri_mme_test.o eri_mme_gaussian.o eri_mme_types.o eri_mme_lattice_summation.o eri_mme_integrate.o eri_mme_util.o eri_mme_error_control.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2keri_mme.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2keri_mme.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2keri_mme.a eri_mme_test.o eri_mme_gaussian.o eri_mme_types.o eri_mme_lattice_summation.o eri_mme_integrate.o eri_mme_util.o eri_mme_error_control.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2keri_mme.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kminimax.a' due to: minimax_exp.o minimax_exp_gw.o minimax_rpa.o minimax_exp_k15.o minimax_exp_k53.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kminimax.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kminimax.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kminimax.a minimax_exp.o minimax_exp_gw.o minimax_rpa.o minimax_exp_k15.o minimax_exp_k53.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kminimax.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2khfxbase.a' due to: hfx_contraction_methods.o hfx_compression_core_methods.o hfx_contract_block.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2khfxbase.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2khfxbase.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2khfxbase.a hfx_contraction_methods.o hfx_compression_core_methods.o hfx_contract_block.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2khfxbase.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kxc.a' due to: xc_vwn.o xc_tfw.o cp_linked_list_xc_deriv.o xc_functionals_utilities.o xc_xpbe_hole_t_c_lr.o xc_thomas_fermi.o xc_hcth.o xc_derivatives.o xc_derivative_types.o xc_xbecke_roussel.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_lyp_adiabatic.o xc_derivative_set_types.o xc_perdew_zunger.o xc_input_constants.o xc_xwpbe.o xc_rho_set_types.o xc_perdew86.o xc_perdew_wang.o xc_derivative_desc.o xc_ke_gga.o xc_exchange_gga.o xc_xbeef.o xc_xbecke88_lr_adiabatic.o xc_sr_lda.o xc_atom.o xc_tpss.o xc_xbecke88_long_range.o xc_xbecke88.o xc_optx.o xc_b97.o xc_rho_cflags_types.o xc_cs1.o xc_xlda_hole_t_c_lr.o xc_pbe.o xc_xalpha.o xc_libxc_wrap.o xc_libxc.o xc.o xc_pade.o xc_lyp.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kxc.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kxc.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kxc.a xc_vwn.o xc_tfw.o cp_linked_list_xc_deriv.o xc_functionals_utilities.o xc_xpbe_hole_t_c_lr.o xc_thomas_fermi.o xc_hcth.o xc_derivatives.o xc_derivative_types.o xc_xbecke_roussel.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_lyp_adiabatic.o xc_derivative_set_types.o xc_perdew_zunger.o xc_input_constants.o xc_xwpbe.o xc_rho_set_types.o xc_perdew86.o xc_perdew_wang.o xc_derivative_desc.o xc_ke_gga.o xc_exchange_gga.o xc_xbeef.o xc_xbecke88_lr_adiabatic.o xc_sr_lda.o xc_atom.o xc_tpss.o xc_xbecke88_long_range.o xc_xbecke88.o xc_optx.o xc_b97.o xc_rho_cflags_types.o xc_cs1.o xc_xlda_hole_t_c_lr.o xc_pbe.o xc_xalpha.o xc_libxc_wrap.o xc_libxc.o xc.o xc_pade.o xc_lyp.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kxc.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw_env.a' due to: pw_env_types.o cp_spline_utils.o gaussian_gridlevels.o rs_pw_interface.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw_env.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw_env.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw_env.a pw_env_types.o cp_spline_utils.o gaussian_gridlevels.o rs_pw_interface.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw_env.a -/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/all.dep:139: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/dumpdcd.psmp' due to: dumpdcd.o /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/dumpdcd.psmp dumpdcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xyz2dcd.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/xyz2dcd.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a' due to: mp2_ri_grad.o semi_empirical_parameters.o rpa_kpoints.o qs_mixing_utils.o qs_linres_epr_utils.o qmmm_init.o pwdft_environment_types.o kpoint_transitional.o qs_rho_atom_types.o cp_ddapc_types.o topology_util.o molden_utils.o pao_input.o se_fock_matrix_exchange.o qs_o3c_types.o qs_neighbor_list_types.o mixed_environment.o qs_condnum.o qs_gcp_utils.o ewald_environment_types.o kg_correction.o kpoint_types.o qs_dftb_coulomb.o library_tests.o force_fields_util.o input_cp2k_thermostats.o ewalds.o efield_utils.o integration_grid_types.o qs_core_energies.o lri_compression.o qs_p_env_types.o qs_charge_mixing.o task_list_types.o qs_loc_methods.o metadynamics_types.o constraint.o force_fields_all.o hirshfeld_types.o qs_tddfpt2_methods.o input_cp2k_force_eval.o qs_tddfpt_module.o s_square_methods.o optimize_basis_types.o qs_ot.o admm_dm_types.o input_cp2k_check.o input_cp2k_external.o al_system_types.o atoms_input.o qs_wannier90.o mp2_setup.o cell_methods.o qs_harmonics_atom.o almo_scf_qs.o molecular_moments.o mao_basis.o lri_environment_types.o block_p_types.o xas_methods.o graphcon.o negf_subgroup_types.o topology_cif.o qs_charges_types.o xtb_coulomb.o se_fock_matrix_coulomb.o qmmm_per_elpot.o input_cp2k_pwdft.o pao_ml_neuralnet.o motion_utils.o transport_env_types.o pao_param_fock.o qs_subsys_types.o constraint_util.o qs_cdft_types.o qs_period_efield_types.o optimize_basis_utils.o xc_write_output.o ipi_driver.o input_constants.o qs_scf_post_se.o qs_basis_gradient.o qs_commutators.o qs_loc_utils.o gle_system_types.o qmmmx_update.o input_cp2k_subsys.o rpa_main.o semi_empirical_par_utils.o submatrix_types.o qs_tddfpt2_subgroups.o mao_types.o qs_tddfpt2_restart.o rpa_util.o qs_scf_initialization.o dm_ls_chebyshev.o energy_corrections.o qs_subsys_methods.o atom_utils.o spglib_f08.o pwdft_environment.o cp_dbcsr_cholesky.o admm_methods.o constraint_4x6.o splines_types.o qs_cdft_utils.o generic_os_integrals.o force_field_types.o constraint_vsite.o rmsd.o atom_optimization.o pexsi_types.o pme.o semi_empirical_int_arrays.o qs_scf_loop_utils.o semi_empirical_int_ana.o header.o input_cp2k_xc.o topology_input.o atom_grb.o qs_gcp_types.o embed_environment.o qs_wf_history_methods.o extended_system_types.o hfx_screening_methods.o free_energy_types.o qs_scf_lanczos.o qs_linres_op.o qs_tddfpt2_densities.o qs_environment_methods.o qmmmx_force.o atom_pseudo.o qs_integrate_potential.o force_env_methods.o mixed_cdft_types.o lri_forces.o embed_main.o qs_mo_occupation.o fist_neighbor_lists.o manybody_eam.o qs_rho0_ggrid.o qs_mom_types.o qs_linres_polar_utils.o surface_dipole.o qs_epr_hyp.o qs_electric_field_gradient.o hirshfeld_methods.o et_coupling_proj.o hfx_libint_interface.o fist_intra_force.o cp2k_info.o input_cp2k_atom.o hfx_pair_list_methods.o qs_fermi_contact.o debug_os_integrals.o hfx_energy_potential.o manybody_tersoff.o qmmm_gaussian_types.o ct_methods.o qmmm_pw_grid.o cp_subsys_methods.o colvar_utils.o metadynamics_utils.o atomic_charges.o particle_methods.o cp_realspace_grid_init.o input_cp2k_transport.o rpa_rse.o qs_ks_apply_restraints.o qs_scf_post_scf.o pair_potential_coulomb.o input_cp2k_dft.o dm_ls_scf_create.o fp_methods.o mp2_ri_libint.o qmmm_elpot.o semi_empirical_int_gks.o qs_local_properties.o optimize_dmfet_potential.o topology_connectivity_util.o cp_dbcsr_cp2k_link.o qs_external_potential.o input_restart_rng.o qs_oce_types.o preconditioner_solvers.o nnp_environment.o negf_atom_map.o qs_rho0_types.o optimize_basis.o qmmm_util.o mp2_ri_gpw.o pw_env_methods.o input_cp2k_field.o qs_dispersion_utils.o mp2_types.o input_cp2k_global.o qs_energy_types.o mp2_gpw_method.o qmmm_types_low.o input_cp2k_tb.o semi_empirical_int_utils.o atom_kind_orbitals.o qs_ot_types.o negf_env_types.o pao_linpot_rotinv.o dm_ls_scf_curvy.o mulliken.o admm_dm_methods.o qs_mo_types.o cp_external_control.o input_cp2k_hfx.o qs_vxc.o rel_control_types.o matrix_exp.o qs_scf_csr_write.o force_fields_input.o semi_empirical_int_num.o qs_gcp_method.o farming_methods.o distribution_methods.o qmmm_image_charge.o qs_dftb_parameters.o qs_tddfpt2_fhxc.o input_cp2k_constraints.o ec_env_types.o ls_matrix_exp.o almo_scf_optimizer.o pao_main.o input_cp2k_mp2.o qs_fb_com_tasks_types.o hfx_ri.o input_restart_force_eval.o et_coupling_types.o atom_electronic_structure.o qs_tensors_types.o force_env_utils.o simpar_types.o shg_integrals_test.o constraint_clv.o qs_cdft_opt_types.o mode_selective.o qs_scf.o input_cp2k_colvar.o lri_environment_init.o qs_integrate_potential_single.o domain_submatrix_types.o qs_tddfpt2_types.o constraint_fxd.o rt_propagation_types.o qs_initial_guess.o qmmm_gaussian_input.o hfx_types.o semi_empirical_expns3_methods.o qmmm_ff_fist.o atom_basis.o almo_scf_methods.o se_core_core.o qs_active_space_methods.o topology_generate_util.o se_fock_matrix.o rpa_gw.o nnp_model.o qs_efield_local.o qs_vxc_atom.o eip_environment.o qs_kpp1_env_methods.o mao_optimizer.o semi_empirical_int3_utils.o paw_proj_set_types.o pexsi_methods.o force_fields.o xtb_parameters.o almo_scf_lbfgs_types.o rpa_gw_im_time_util.o input_cp2k_negf.o qmmm_topology_util.o qs_linres_nmr_utils.o maxwell_solver_interface.o kpoint_io.o input_cp2k_read.o grrm_utils.o hfx_pw_methods.o kg_tnadd_mat.o qs_tddfpt_types.o qs_linres_epr_nablavks.o qmmm_gpw_energy.o qmmm_gaussian_data.o scine_utils.o mp2_ri_grad_util.o qs_cdft_methods.o optbas_opt_utils.o molsym.o fist_nonbond_force.o kpoint_coulomb_2c.o auto_basis.o qs_ks_qmmm_types.o manybody_quip.o qs_dispersion_nonloc.o rtp_admm_methods.o cp_dbcsr_operations.o qs_energy_init.o core_ppl.o cp_dbcsr_diag.o cp_control_types.o qs_dftb3_methods.o qs_ks_atom.o mp2_integrals.o minbas_methods.o pme_tools.o ewald_methods_tb.o qs_wf_history_types.o qs_block_davidson_types.o outer_scf_control_types.o fp_types.o topology_multiple_unit_cell.o qs_scf_block_davidson.o constraint_3x3.o input_cp2k_atprop.o pexsi_interface.o mm_mapping_library.o qs_operators_ao.o sap_kind_types.o ewald_spline_util.o qs_tensors.o qs_density_mixing_types.o uff_vdw_radii_table.o xas_tp_scf.o cryssym.o rpa_communication.o xas_restart.o kg_environment.o qs_scf_types.o mscfg_types.o qs_gamma2kp.o qs_linres_atom_current.o pair_potential_types.o mao_wfn_analysis.o input_cp2k_distribution.o qs_fb_env_types.o scf_control_types.o qs_spin_orbit.o atom_xc.o cp_ddapc_forces.o mp2_gpw.o submatrix_dissection.o hfx_communication.o atom_operators.o qs_fb_distribution_methods.o cp_realspace_grid_cube.o qmmm_force.o cp_control_utils.o qs_ks_qmmm_methods.o core_ae.o qs_ot_minimizer.o input_cp2k_ec.o qs_linres_current.o input_optimize_input.o fist_environment.o ewald_pw_types.o sirius_interface.o qs_localization_methods.o hfx_admm_utils.o pao_linpot_full.o qs_dos.o qs_fb_matrix_data_types.o qmmm_gaussian_init.o preconditioner_makes.o semi_empirical_mpole_methods.o f77_interface.o atom_types.o manybody_gal.o rpa_gw_ic.o mdctrl_types.o cp2k_debug.o qs_linres_issc_utils.o qs_rho_atom_methods.o input_cp2k_mixed.o qs_elec_field.o qs_o3c_methods.o qs_fb_atomic_matrix_methods.o qs_force_types.o force_fields_ext.o rpa_axk.o se_fock_matrix_integrals.o xas_control.o qs_pdos.o qs_tddfpt_utils.o input_cp2k_rsgrid.o qmmmx_types.o xtb_matrices.o minbas_wfn_analysis.o almo_scf.o molecular_dipoles.o qs_ot_eigensolver.o qmmm_types.o qs_kpp1_env_types.o kg_environment_types.o pao_param_exp.o mol_force.o hfx_derivatives.o qs_linres_current_utils.o pair_potential.o qs_gspace_mixing.o basis_set_output.o negf_green_methods.o qs_elf_methods.o response_solver.o qs_active_space_types.o preconditioner_apply.o semi_empirical_store_int_types.o xtb_types.o colvar_methods.o optimize_embedding_potential.o embed_types.o qs_collocate_density.o cp_ddapc_methods.o fist_neighbor_list_types.o qs_fb_filter_matrix_methods.o cp_dbcsr_output.o pao_ml.o xc_adiabatic_utils.o xas_tdp_kernel.o dkh_main.o manybody_potential.o group_dist_types.o exclusion_types.o csvr_system_utils.o replica_methods.o mp2_cphf.o mp2_laplace.o qs_tddfpt2_stda_utils.o mixed_main.o mm_collocate_potential.o qs_energy.o negf_integr_utils.o localization_tb.o qs_fb_buffer_types.o hfx_load_balance_methods.o qs_dftb_dispersion.o qs_dispersion_pairpot.o qs_overlap.o dm_ls_scf.o lri_ks_methods.o mp2_ri_2c.o qs_tddfpt2_utils.o lri_integrals.o input_cp2k_poisson.o qs_external_density.o input_cp2k_binary_restarts.o qs_p_env_methods.o pao_ml_gaussprocess.o qs_grid_atom.o transport.o qs_tddfpt2_stda_types.o fist_energy_types.o preconditioner.o input_cp2k_motion_print.o mp2_eri_gpw.o qs_moments.o se_fock_matrix_dbg.o qs_force.o linesearch.o qs_linres_epr_ownutils.o subcell_types.o distribution_2d_types.o qs_outer_scf.o input_cp2k_restarts_util.o optimize_input.o admm_types.o negf_integr_cc.o rpa_gw_kpoints.o qs_tddfpt2_operators.o input_cp2k_almo.o qs_ks_types.o qs_linres_module.o force_env_types.o xtb_ehess.o qs_nl_hash_table_types.o ct_types.o statistical_methods.o task_list_methods.o xas_tdp_types.o qs_matrix_pools.o pilaenv_hack.o input_cp2k_kpoints.o atom_output.o qs_diis.o input_cp2k_embed.o xas_tdp_integrals.o qs_interactions.o topology_xtl.o qs_linres_methods.o wannier_states_types.o input_cp2k_neb.o atom_sgp.o negf_green_cache.o xc_pot_saop.o qs_linres_nmr_epr_common_utils.o external_potential_methods.o cp_ddapc.o lri_environment_methods.o negf_matrix_utils.o qs_ot_scf.o qmmm_tb_coulomb.o qs_loc_types.o wannier_states.o ri_environment_methods.o iterate_matrix.o fist_neighbor_list_control.o qmmm_se_forces.o fermi_utils.o topology_xyz.o qs_energy_matrix_w.o beta_gamma_psi.o pao_param.o xas_env_types.o dm_ls_scf_qs.o csvr_system_types.o voronoi_interface.o qs_linres_types.o taper_types.o input_cp2k_eip.o atom.o qs_rho_types.o almo_scf_diis_types.o optbas_fenv_manipulation.o dm_ls_scf_methods.o mp2_optimize_ri_basis.o qs_dispersion_types.o ec_environment.o negf_alloc_types.o mixed_cdft_methods.o qs_scf_wfn_mix.o rt_propagation_forces.o topology.o qmmm_create.o bsse.o fist_nonbond_env_types.o qs_scf_methods.o xas_tdp_methods.o qs_sccs.o hfx_compression_methods.o qs_ks_methods.o qs_tddfpt2_eigensolver.o et_coupling.o qs_local_rho_types.o atom_energy.o dm_ls_scf_types.o spme.o xray_diffraction.o fist_force.o eip_environment_types.o qs_update_s_mstruct.o pao_optimizer.o negf_methods.o pao_ml_descriptor.o qs_oce_methods.o pao_potentials.o qmmmx_util.o qs_mom_methods.o core_ppnl.o qs_environment.o hfx_helpers.o almo_scf_env_methods.o ewald_pw_methods.o qmmm_links_methods.o efield_tb_methods.o pao_param_gth.o qs_tddfpt2_properties.o topology_gromos.o mixed_cdft_utils.o qmmm_gpw_forces.o topology_constraint_util.o cp_eri_mme_interface.o qs_integral_utils.o input_cp2k_ls.o mp2.o kg_vertex_coloring_methods.o qs_loc_states.o qs_chargemol.o pao_param_linpot.o topology_amber.o commutator_rpnl.o negf_vectors.o qs_dftb_matrices.o mixed_environment_utils.o qs_band_structure.o qs_energy_window.o lri_optimize_ri_basis_types.o input_cp2k_qmmm.o xc_adiabatic_methods.o xas_tdp_correction.o nnp_force.o fist_environment_types.o topology_psf.o semi_empirical_expns3_types.o bse.o qs_rho0_methods.o replica_types.o domain_submatrix_methods.o atom_upf.o manybody_siepmann.o ewalds_multipole.o qs_mo_methods.o molecular_states.o pw_poisson_read_input.o qs_integrate_potential_product.o libint_2c_3c.o hartree_local_methods.o qs_fb_hash_table_types.o negf_integr_simpson.o mixed_energy_types.o mp2_direct_method.o environment.o pao_io.o qs_efield_berry.o qmmm_se_energy.o pao_methods.o qmmm_tb_methods.o dft_plus_u.o semi_empirical_mpole_types.o input_cp2k_free_energy.o rpa_im_time.o semi_empirical_int_debug.o moments_utils.o input_optimize_basis.o qs_diis_types.o semi_empirical_integrals.o topology_types.o splines_methods.o fist_pol_scf.o qs_core_hamiltonian.o qs_environment_types.o preconditioner_types.o qs_dftb_utils.o global_types.o qs_fb_atomic_halo_types.o qs_fb_input.o eip_silicon.o cp_symmetry.o topology_coordinate_util.o qs_linres_nmr_shift.o qs_resp.o farming_types.o semi_empirical_types.o qs_dftb_types.o pao_types.o fist_efield_types.o nnp_acsf.o stm_images.o semi_empirical_utils.o qs_tddfpt_eigensolver.o qs_ks_utils.o wannier90.o qs_scf_output.o qmmmx_create.o mp2_eri.o se_core_matrix.o mixed_environment_types.o qs_rho_methods.o admm_utils.o topology_cp2k.o commutator_rkinetic.o restraint.o input_cp2k_nnp.o input_cp2k_resp.o mp2_grids.o almo_scf_types.o qs_energy_utils.o atom_fit.o nnp_environment_types.o qs_fb_trial_fns_types.o qs_neighbor_lists.o xas_tdp_atom.o input_cp2k_loc.o fist_efield_methods.o topology_pdb.o qs_loc_dipole.o qs_scf_post_gpw.o qs_mo_io.o hartree_local_types.o virial_methods.o qs_kinetic.o fist_main.o qs_loc_molecules.o pair_potential_util.o qs_scf_diagonalization.o lri_optimize_ri_basis.o metadynamics.o qs_scf_post_tb.o ec_efield_local.o qs_kind_types.o cp_ddapc_util.o mscfg_methods.o qs_fb_env_methods.o kpoint_methods.o qs_gapw_densities.o input_cp2k_mm.o xas_tdp_utils.o atom_admm_methods.o mao_methods.o qs_cdft_scf_utils.o negf_control_types.o cp_gemm_interface.o libint_wrapper.o input_cp2k_properties_dft.o qs_hash_table_functions.o population_analyses.o sockets.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a mp2_ri_grad.o semi_empirical_parameters.o rpa_kpoints.o qs_mixing_utils.o qs_linres_epr_utils.o qmmm_init.o pwdft_environment_types.o kpoint_transitional.o qs_rho_atom_types.o cp_ddapc_types.o topology_util.o molden_utils.o pao_input.o se_fock_matrix_exchange.o qs_o3c_types.o qs_neighbor_list_types.o mixed_environment.o qs_condnum.o qs_gcp_utils.o ewald_environment_types.o kg_correction.o kpoint_types.o qs_dftb_coulomb.o library_tests.o force_fields_util.o input_cp2k_thermostats.o ewalds.o efield_utils.o integration_grid_types.o qs_core_energies.o lri_compression.o qs_p_env_types.o qs_charge_mixing.o task_list_types.o qs_loc_methods.o metadynamics_types.o constraint.o force_fields_all.o hirshfeld_types.o qs_tddfpt2_methods.o input_cp2k_force_eval.o qs_tddfpt_module.o s_square_methods.o optimize_basis_types.o qs_ot.o admm_dm_types.o input_cp2k_check.o input_cp2k_external.o al_system_types.o atoms_input.o qs_wannier90.o mp2_setup.o cell_methods.o qs_harmonics_atom.o almo_scf_qs.o molecular_moments.o mao_basis.o lri_environment_types.o block_p_types.o xas_methods.o graphcon.o negf_subgroup_types.o topology_cif.o qs_charges_types.o xtb_coulomb.o se_fock_matrix_coulomb.o qmmm_per_elpot.o input_cp2k_pwdft.o pao_ml_neuralnet.o motion_utils.o transport_env_types.o pao_param_fock.o qs_subsys_types.o constraint_util.o qs_cdft_types.o qs_period_efield_types.o optimize_basis_utils.o xc_write_output.o ipi_driver.o input_constants.o qs_scf_post_se.o qs_basis_gradient.o qs_commutators.o qs_loc_utils.o gle_system_types.o qmmmx_update.o input_cp2k_subsys.o rpa_main.o semi_empirical_par_utils.o submatrix_types.o qs_tddfpt2_subgroups.o mao_types.o qs_tddfpt2_restart.o rpa_util.o qs_scf_initialization.o dm_ls_chebyshev.o energy_corrections.o qs_subsys_methods.o atom_utils.o spglib_f08.o pwdft_environment.o cp_dbcsr_cholesky.o admm_methods.o constraint_4x6.o splines_types.o qs_cdft_utils.o generic_os_integrals.o force_field_types.o constraint_vsite.o rmsd.o atom_optimization.o pexsi_types.o pme.o semi_empirical_int_arrays.o qs_scf_loop_utils.o semi_empirical_int_ana.o header.o input_cp2k_xc.o topology_input.o atom_grb.o qs_gcp_types.o embed_environment.o qs_wf_history_methods.o extended_system_types.o hfx_screening_methods.o free_energy_types.o qs_scf_lanczos.o qs_linres_op.o qs_tddfpt2_densities.o qs_environment_methods.o qmmmx_force.o atom_pseudo.o qs_integrate_potential.o force_env_methods.o mixed_cdft_types.o lri_forces.o embed_main.o qs_mo_occupation.o fist_neighbor_lists.o manybody_eam.o qs_rho0_ggrid.o qs_mom_types.o qs_linres_polar_utils.o surface_dipole.o qs_epr_hyp.o qs_electric_field_gradient.o hirshfeld_methods.o et_coupling_proj.o hfx_libint_interface.o fist_intra_force.o cp2k_info.o input_cp2k_atom.o hfx_pair_list_methods.o qs_fermi_contact.o debug_os_integrals.o hfx_energy_potential.o manybody_tersoff.o qmmm_gaussian_types.o ct_methods.o qmmm_pw_grid.o cp_subsys_methods.o colvar_utils.o metadynamics_utils.o atomic_charges.o particle_methods.o cp_realspace_grid_init.o input_cp2k_transport.o rpa_rse.o qs_ks_apply_restraints.o qs_scf_post_scf.o pair_potential_coulomb.o input_cp2k_dft.o dm_ls_scf_create.o fp_methods.o mp2_ri_libint.o qmmm_elpot.o semi_empirical_int_gks.o qs_local_properties.o optimize_dmfet_potential.o topology_connectivity_util.o cp_dbcsr_cp2k_link.o qs_external_potential.o input_restart_rng.o qs_oce_types.o preconditioner_solvers.o nnp_environment.o negf_atom_map.o qs_rho0_types.o optimize_basis.o qmmm_util.o mp2_ri_gpw.o pw_env_methods.o input_cp2k_field.o qs_dispersion_utils.o mp2_types.o input_cp2k_global.o qs_energy_types.o mp2_gpw_method.o qmmm_types_low.o input_cp2k_tb.o semi_empirical_int_utils.o atom_kind_orbitals.o qs_ot_types.o negf_env_types.o pao_linpot_rotinv.o dm_ls_scf_curvy.o mulliken.o admm_dm_methods.o qs_mo_types.o cp_external_control.o input_cp2k_hfx.o qs_vxc.o rel_control_types.o matrix_exp.o qs_scf_csr_write.o force_fields_input.o semi_empirical_int_num.o qs_gcp_method.o farming_methods.o distribution_methods.o qmmm_image_charge.o qs_dftb_parameters.o qs_tddfpt2_fhxc.o input_cp2k_constraints.o ec_env_types.o ls_matrix_exp.o almo_scf_optimizer.o pao_main.o input_cp2k_mp2.o qs_fb_com_tasks_types.o hfx_ri.o input_restart_force_eval.o et_coupling_types.o atom_electronic_structure.o qs_tensors_types.o force_env_utils.o simpar_types.o shg_integrals_test.o constraint_clv.o qs_cdft_opt_types.o mode_selective.o qs_scf.o input_cp2k_colvar.o lri_environment_init.o qs_integrate_potential_single.o domain_submatrix_types.o qs_tddfpt2_types.o constraint_fxd.o rt_propagation_types.o qs_initial_guess.o qmmm_gaussian_input.o hfx_types.o semi_empirical_expns3_methods.o qmmm_ff_fist.o atom_basis.o almo_scf_methods.o se_core_core.o qs_active_space_methods.o topology_generate_util.o se_fock_matrix.o rpa_gw.o nnp_model.o qs_efield_local.o qs_vxc_atom.o eip_environment.o qs_kpp1_env_methods.o mao_optimizer.o semi_empirical_int3_utils.o paw_proj_set_types.o pexsi_methods.o force_fields.o xtb_parameters.o almo_scf_lbfgs_types.o rpa_gw_im_time_util.o input_cp2k_negf.o qmmm_topology_util.o qs_linres_nmr_utils.o maxwell_solver_interface.o kpoint_io.o input_cp2k_read.o grrm_utils.o hfx_pw_methods.o kg_tnadd_mat.o qs_tddfpt_types.o qs_linres_epr_nablavks.o qmmm_gpw_energy.o qmmm_gaussian_data.o scine_utils.o mp2_ri_grad_util.o qs_cdft_methods.o optbas_opt_utils.o molsym.o fist_nonbond_force.o kpoint_coulomb_2c.o auto_basis.o qs_ks_qmmm_types.o manybody_quip.o qs_dispersion_nonloc.o rtp_admm_methods.o cp_dbcsr_operations.o qs_energy_init.o core_ppl.o cp_dbcsr_diag.o cp_control_types.o qs_dftb3_methods.o qs_ks_atom.o mp2_integrals.o minbas_methods.o pme_tools.o ewald_methods_tb.o qs_wf_history_types.o qs_block_davidson_types.o outer_scf_control_types.o fp_types.o topology_multiple_unit_cell.o qs_scf_block_davidson.o constraint_3x3.o input_cp2k_atprop.o pexsi_interface.o mm_mapping_library.o qs_operators_ao.o sap_kind_types.o ewald_spline_util.o qs_tensors.o qs_density_mixing_types.o uff_vdw_radii_table.o xas_tp_scf.o cryssym.o rpa_communication.o xas_restart.o kg_environment.o qs_scf_types.o mscfg_types.o qs_gamma2kp.o qs_linres_atom_current.o pair_potential_types.o mao_wfn_analysis.o input_cp2k_distribution.o qs_fb_env_types.o scf_control_types.o qs_spin_orbit.o atom_xc.o cp_ddapc_forces.o mp2_gpw.o submatrix_dissection.o hfx_communication.o atom_operators.o qs_fb_distribution_methods.o cp_realspace_grid_cube.o qmmm_force.o cp_control_utils.o qs_ks_qmmm_methods.o core_ae.o qs_ot_minimizer.o input_cp2k_ec.o qs_linres_current.o input_optimize_input.o fist_environment.o ewald_pw_types.o sirius_interface.o qs_localization_methods.o hfx_admm_utils.o pao_linpot_full.o qs_dos.o qs_fb_matrix_data_types.o qmmm_gaussian_init.o preconditioner_makes.o semi_empirical_mpole_methods.o f77_interface.o atom_types.o manybody_gal.o rpa_gw_ic.o mdctrl_types.o cp2k_debug.o qs_linres_issc_utils.o qs_rho_atom_methods.o input_cp2k_mixed.o qs_elec_field.o qs_o3c_methods.o qs_fb_atomic_matrix_methods.o qs_force_types.o force_fields_ext.o rpa_axk.o se_fock_matrix_integrals.o xas_control.o qs_pdos.o qs_tddfpt_utils.o input_cp2k_rsgrid.o qmmmx_types.o xtb_matrices.o minbas_wfn_analysis.o almo_scf.o molecular_dipoles.o qs_ot_eigensolver.o qmmm_types.o qs_kpp1_env_types.o kg_environment_types.o pao_param_exp.o mol_force.o hfx_derivatives.o qs_linres_current_utils.o pair_potential.o qs_gspace_mixing.o basis_set_output.o negf_green_methods.o qs_elf_methods.o response_solver.o qs_active_space_types.o preconditioner_apply.o semi_empirical_store_int_types.o xtb_types.o colvar_methods.o optimize_embedding_potential.o embed_types.o qs_collocate_density.o cp_ddapc_methods.o fist_neighbor_list_types.o qs_fb_filter_matrix_methods.o cp_dbcsr_output.o pao_ml.o xc_adiabatic_utils.o xas_tdp_kernel.o dkh_main.o manybody_potential.o group_dist_types.o exclusion_types.o csvr_system_utils.o replica_methods.o mp2_cphf.o mp2_laplace.o qs_tddfpt2_stda_utils.o mixed_main.o mm_collocate_potential.o qs_energy.o negf_integr_utils.o localization_tb.o qs_fb_buffer_types.o hfx_load_balance_methods.o qs_dftb_dispersion.o qs_dispersion_pairpot.o qs_overlap.o dm_ls_scf.o lri_ks_methods.o mp2_ri_2c.o qs_tddfpt2_utils.o lri_integrals.o input_cp2k_poisson.o qs_external_density.o input_cp2k_binary_restarts.o qs_p_env_methods.o pao_ml_gaussprocess.o qs_grid_atom.o transport.o qs_tddfpt2_stda_types.o fist_energy_types.o preconditioner.o input_cp2k_motion_print.o mp2_eri_gpw.o qs_moments.o se_fock_matrix_dbg.o qs_force.o linesearch.o qs_linres_epr_ownutils.o subcell_types.o distribution_2d_types.o qs_outer_scf.o input_cp2k_restarts_util.o optimize_input.o admm_types.o negf_integr_cc.o rpa_gw_kpoints.o qs_tddfpt2_operators.o input_cp2k_almo.o qs_ks_types.o qs_linres_module.o force_env_types.o xtb_ehess.o qs_nl_hash_table_types.o ct_types.o statistical_methods.o task_list_methods.o xas_tdp_types.o qs_matrix_pools.o pilaenv_hack.o input_cp2k_kpoints.o atom_output.o qs_diis.o input_cp2k_embed.o xas_tdp_integrals.o qs_interactions.o topology_xtl.o qs_linres_methods.o wannier_states_types.o input_cp2k_neb.o atom_sgp.o negf_green_cache.o xc_pot_saop.o qs_linres_nmr_epr_common_utils.o external_potential_methods.o cp_ddapc.o lri_environment_methods.o negf_matrix_utils.o qs_ot_scf.o qmmm_tb_coulomb.o qs_loc_types.o wannier_states.o ri_environment_methods.o iterate_matrix.o fist_neighbor_list_control.o qmmm_se_forces.o fermi_utils.o topology_xyz.o qs_energy_matrix_w.o beta_gamma_psi.o pao_param.o xas_env_types.o dm_ls_scf_qs.o csvr_system_types.o voronoi_interface.o qs_linres_types.o taper_types.o input_cp2k_eip.o atom.o qs_rho_types.o almo_scf_diis_types.o optbas_fenv_manipulation.o dm_ls_scf_methods.o mp2_optimize_ri_basis.o qs_dispersion_types.o ec_environment.o negf_alloc_types.o mixed_cdft_methods.o qs_scf_wfn_mix.o rt_propagation_forces.o topology.o qmmm_create.o bsse.o fist_nonbond_env_types.o qs_scf_methods.o xas_tdp_methods.o qs_sccs.o hfx_compression_methods.o qs_ks_methods.o qs_tddfpt2_eigensolver.o et_coupling.o qs_local_rho_types.o atom_energy.o dm_ls_scf_types.o spme.o xray_diffraction.o fist_force.o eip_environment_types.o qs_update_s_mstruct.o pao_optimizer.o negf_methods.o pao_ml_descriptor.o qs_oce_methods.o pao_potentials.o qmmmx_util.o qs_mom_methods.o core_ppnl.o qs_environment.o hfx_helpers.o almo_scf_env_methods.o ewald_pw_methods.o qmmm_links_methods.o efield_tb_methods.o pao_param_gth.o qs_tddfpt2_properties.o topology_gromos.o mixed_cdft_utils.o qmmm_gpw_forces.o topology_constraint_util.o cp_eri_mme_interface.o qs_integral_utils.o input_cp2k_ls.o mp2.o kg_vertex_coloring_methods.o qs_loc_states.o qs_chargemol.o pao_param_linpot.o topology_amber.o commutator_rpnl.o negf_vectors.o qs_dftb_matrices.o mixed_environment_utils.o qs_band_structure.o qs_energy_window.o lri_optimize_ri_basis_types.o input_cp2k_qmmm.o xc_adiabatic_methods.o xas_tdp_correction.o nnp_force.o fist_environment_types.o topology_psf.o semi_empirical_expns3_types.o bse.o qs_rho0_methods.o replica_types.o domain_submatrix_methods.o atom_upf.o manybody_siepmann.o ewalds_multipole.o qs_mo_methods.o molecular_states.o pw_poisson_read_input.o qs_integrate_potential_product.o libint_2c_3c.o hartree_local_methods.o qs_fb_hash_table_types.o negf_integr_simpson.o mixed_energy_types.o mp2_direct_method.o environment.o pao_io.o qs_efield_berry.o qmmm_se_energy.o pao_methods.o qmmm_tb_methods.o dft_plus_u.o semi_empirical_mpole_types.o input_cp2k_free_energy.o rpa_im_time.o semi_empirical_int_debug.o moments_utils.o input_optimize_basis.o qs_diis_types.o semi_empirical_integrals.o topology_types.o splines_methods.o fist_pol_scf.o qs_core_hamiltonian.o qs_environment_types.o preconditioner_types.o qs_dftb_utils.o global_types.o qs_fb_atomic_halo_types.o qs_fb_input.o eip_silicon.o cp_symmetry.o topology_coordinate_util.o qs_linres_nmr_shift.o qs_resp.o farming_types.o semi_empirical_types.o qs_dftb_types.o pao_types.o fist_efield_types.o nnp_acsf.o stm_images.o semi_empirical_utils.o qs_tddfpt_eigensolver.o qs_ks_utils.o wannier90.o qs_scf_output.o qmmmx_create.o mp2_eri.o se_core_matrix.o mixed_environment_types.o qs_rho_methods.o admm_utils.o topology_cp2k.o commutator_rkinetic.o restraint.o input_cp2k_nnp.o input_cp2k_resp.o mp2_grids.o almo_scf_types.o qs_energy_utils.o atom_fit.o nnp_environment_types.o qs_fb_trial_fns_types.o qs_neighbor_lists.o xas_tdp_atom.o input_cp2k_loc.o fist_efield_methods.o topology_pdb.o qs_loc_dipole.o qs_scf_post_gpw.o qs_mo_io.o hartree_local_types.o virial_methods.o qs_kinetic.o fist_main.o qs_loc_molecules.o pair_potential_util.o qs_scf_diagonalization.o lri_optimize_ri_basis.o metadynamics.o qs_scf_post_tb.o ec_efield_local.o qs_kind_types.o cp_ddapc_util.o mscfg_methods.o qs_fb_env_methods.o kpoint_methods.o qs_gapw_densities.o input_cp2k_mm.o xas_tdp_utils.o atom_admm_methods.o mao_methods.o qs_cdft_scf_utils.o negf_control_types.o cp_gemm_interface.o libint_wrapper.o input_cp2k_properties_dft.o qs_hash_table_functions.o population_analyses.o sockets.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a' due to: arnoldi_geev.o arnoldi_types.o arnoldi_data_methods.o arnoldi_api.o arnoldi_methods.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a arnoldi_geev.o arnoldi_types.o arnoldi_data_methods.o arnoldi_api.o arnoldi_methods.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a' due to: dbcsr_vector.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a dbcsr_vector.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a' due to: generic_shg_integrals.o constants_operator.o generic_shg_integrals_init.o construct_shg.o s_contract_shg.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a generic_shg_integrals.o constants_operator.o generic_shg_integrals_init.o construct_shg.o s_contract_shg.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a' due to: eri_mme_util.o eri_mme_gaussian.o eri_mme_error_control.o eri_mme_lattice_summation.o eri_mme_integrate.o eri_mme_test.o eri_mme_types.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a eri_mme_util.o eri_mme_gaussian.o eri_mme_error_control.o eri_mme_lattice_summation.o eri_mme_integrate.o eri_mme_test.o eri_mme_types.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a' due to: minimax_exp_k15.o minimax_exp_k53.o minimax_exp_gw.o minimax_exp.o minimax_rpa.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a minimax_exp_k15.o minimax_exp_k53.o minimax_exp_gw.o minimax_exp.o minimax_rpa.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a' due to: hfx_compression_core_methods.o hfx_contract_block.o hfx_contraction_methods.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a hfx_compression_core_methods.o hfx_contract_block.o hfx_contraction_methods.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a' due to: xc_xalpha.o xc_rho_cflags_types.o xc_sr_lda.o xc_xpbe_hole_t_c_lr.o xc.o xc_xlda_hole_t_c_lr.o xc_tfw.o xc_pbe.o xc_derivatives.o xc_rho_set_types.o xc_hcth.o xc_derivative_set_types.o xc_pade.o xc_derivative_desc.o xc_perdew_wang.o xc_libxc.o xc_lyp.o xc_exchange_gga.o xc_xbecke88_long_range.o xc_xbecke88_lr_adiabatic.o xc_thomas_fermi.o xc_b97.o xc_vwn.o xc_cs1.o xc_ke_gga.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_perdew86.o xc_xbecke_roussel.o xc_lyp_adiabatic.o xc_atom.o xc_optx.o xc_xbecke88.o xc_libxc_wrap.o cp_linked_list_xc_deriv.o xc_functionals_utilities.o xc_input_constants.o xc_perdew_zunger.o xc_tpss.o xc_xwpbe.o xc_xbeef.o xc_derivative_types.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a xc_xalpha.o xc_rho_cflags_types.o xc_sr_lda.o xc_xpbe_hole_t_c_lr.o xc.o xc_xlda_hole_t_c_lr.o xc_tfw.o xc_pbe.o xc_derivatives.o xc_rho_set_types.o xc_hcth.o xc_derivative_set_types.o xc_pade.o xc_derivative_desc.o xc_perdew_wang.o xc_libxc.o xc_lyp.o xc_exchange_gga.o xc_xbecke88_long_range.o xc_xbecke88_lr_adiabatic.o xc_thomas_fermi.o xc_b97.o xc_vwn.o xc_cs1.o xc_ke_gga.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_perdew86.o xc_xbecke_roussel.o xc_lyp_adiabatic.o xc_atom.o xc_optx.o xc_xbecke88.o xc_libxc_wrap.o cp_linked_list_xc_deriv.o xc_functionals_utilities.o xc_input_constants.o xc_perdew_zunger.o xc_tpss.o xc_xwpbe.o xc_xbeef.o xc_derivative_types.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a' due to: cp_spline_utils.o gaussian_gridlevels.o rs_pw_interface.o pw_env_types.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a cp_spline_utils.o gaussian_gridlevels.o rs_pw_interface.o pw_env_types.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a +/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:135: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/dumpdcd.psmp' due to: dumpdcd.o /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/dumpdcd.psmp dumpdcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'xyz2dcd.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/xyz2dcd.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/xyz2dcd.F xyz2dcd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' xyz2dcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xyz2dcd.F90 /build/reproducible-path/cp2k-8.1/src/motion/xyz2dcd.F:602:28: 602 | SUBROUTINE build_h_matrix(a, b, c, alpha, beta, gamma, h) @@ -48578,193 +48613,258 @@ 456 | atomic_displacement(:) = 0.0_dp | ^ Warning: 'atomic_displacement.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/all.dep:135: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/xyz2dcd.psmp' due to: xyz2dcd.o /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:10 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/xyz2dcd.psmp xyz2dcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod force_env_types.mod fist_environment_types.mod pair_potential_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod fist_nonbond_env_types.mod kinds.mod string_utilities.mod cp_files.mod base_hooks.mod mathconstants.mod physcon.mod cp_log_handling.mod input_constants.mod cp_units.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_types.F mc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mc_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_types.mod' due to: mc_types.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod force_env_types.mod fist_environment_types.mod pair_potential_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod fist_nonbond_env_types.mod kinds.mod string_utilities.mod cp_files.mod base_hooks.mod mathconstants.mod physcon.mod cp_log_handling.mod input_constants.mod cp_units.mod +/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:131: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/xyz2dcd.psmp' due to: xyz2dcd.o /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/xyz2dcd.psmp xyz2dcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom.mod' due to: atom.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_environment_types.F mc_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:17 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mc_environment_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_environment_types.mod' due to: mc_environment_types.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'vibrational_analysis.mod' due to: vibrational_analysis.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_move_control.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_move_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_types.mod kinds.mod base_hooks.mod mathconstants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_move_control.F mc_move_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:18 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mc_move_control.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_move_control.mod' due to: mc_move_control.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_move_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_types.mod kinds.mod base_hooks.mod mathconstants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cell_opt.mod' due to: cell_opt.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_misc.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_misc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_types.mod force_env_types.mod kinds.mod cp_files.mod base_hooks.mod mathconstants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_misc.F mc_misc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:20 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mc_misc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_misc.mod' due to: mc_misc.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_misc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_types.mod force_env_types.mod kinds.mod cp_files.mod base_hooks.mod mathconstants.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_methods.mod' due to: neb_methods.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tamc_run.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/tamc_run.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod barostat_types.mod colvar_types.mod distribution_1d_types.mod md_ener_types.mod force_env_types.mod molecule_list_types.mod md_environment_types.mod mc_environment_types.mod mc_types.mod particle_types.mod qs_environment_types.mod parallel_rng_types.mod metadynamics_types.mod thermostat_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod simpar_types.mod atomic_kind_list_types.mod thermal_region_types.mod cell_types.mod molecule_types.mod free_energy_types.mod global_types.mod cp_subsys_types.mod virial_types.mod averages_types.mod cp_para_types.mod reftraj_types.mod kinds.mod string_utilities.mod cp_external_control.mod qs_scf_post_gpw.mod reference_manager.mod reftraj_util.mod force_env_methods.mod input_cp2k_restarts.mod wiener_process.mod colvar_methods.mod thermal_region_utils.mod bibliography.mod cp_output_handling.mod mc_move_control.mod virial_methods.mod base_hooks.mod input_cp2k_check.mod thermostat_methods.mod machine.mod physcon.mod qmmm_util.mod md_energies.mod simpar_methods.mod cp_log_handling.mod input_constants.mod constraint_fxd.mod md_run.mod cp_units.mod mc_misc.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/tamc_run.F tamc_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tamc_run.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tamc_run.mod' due to: tamc_run.o /build/reproducible-path/cp2k-8.1/src/motion/mc/tamc_run.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod barostat_types.mod colvar_types.mod distribution_1d_types.mod md_ener_types.mod force_env_types.mod molecule_list_types.mod md_environment_types.mod mc_environment_types.mod mc_types.mod particle_types.mod qs_environment_types.mod parallel_rng_types.mod metadynamics_types.mod thermostat_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod simpar_types.mod atomic_kind_list_types.mod thermal_region_types.mod cell_types.mod molecule_types.mod free_energy_types.mod global_types.mod cp_subsys_types.mod virial_types.mod averages_types.mod cp_para_types.mod reftraj_types.mod kinds.mod string_utilities.mod cp_external_control.mod qs_scf_post_gpw.mod reference_manager.mod reftraj_util.mod force_env_methods.mod input_cp2k_restarts.mod wiener_process.mod colvar_methods.mod thermal_region_utils.mod bibliography.mod cp_output_handling.mod mc_move_control.mod virial_methods.mod base_hooks.mod input_cp2k_check.mod thermostat_methods.mod machine.mod physcon.mod qmmm_util.mod md_energies.mod simpar_methods.mod cp_log_handling.mod input_constants.mod constraint_fxd.mod md_run.mod cp_units.mod mc_misc.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_input.mod' due to: optimize_input.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_methods.mod' due to: negf_methods.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'bsse.mod' due to: bsse.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_tree_types.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'farming_methods.mod' due to: farming_methods.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_tree_types.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_types.F tmc_tree_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_tree_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_tree_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_tree_types.mod' due to: tmc_tree_types.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_move_types.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_move_types.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_types.F tmc_move_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_move_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_move_types.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_move_types.mod' due to: tmc_move_types.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_stati.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_stati.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_stati.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_stati.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_stati.F tmc_stati.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_stati.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_stati.F90 /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_stati.mod' due to: tmc_stati.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_stati.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod tmc_tree_types.mod cell_types.mod parallel_rng_types.mod tmc_move_types.mod kinds.mod cp_para_env.mod base_hooks.mod tmc_stati.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod cp_para_types.mod parallel_rng_types.mod tmc_move_types.mod cell_types.mod cp_para_env.mod tmc_stati.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_types.F tmc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:32 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_types.mod' due to: tmc_types.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod tmc_tree_types.mod cell_types.mod parallel_rng_types.mod tmc_move_types.mod kinds.mod cp_para_env.mod base_hooks.mod tmc_stati.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_types.mod' due to: tmc_types.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod cp_para_types.mod parallel_rng_types.mod tmc_move_types.mod cell_types.mod cp_para_env.mod tmc_stati.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_analysis_types.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod cell_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_analysis_types.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cell_types.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_analysis_types.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_analysis_types.mod' due to: tmc_analysis_types.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod cell_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_analysis_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_analysis_types.mod' due to: tmc_analysis_types.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cell_types.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_calculations.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_calculations.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cell_types.mod parallel_rng_types.mod tmc_move_types.mod kinds.mod f77_interface.mod cp_log_handling.mod base_hooks.mod mathconstants.mod tmc_stati.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_calculations.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_calculations.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod parallel_rng_types.mod tmc_types.mod tmc_move_types.mod cell_types.mod tmc_stati.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod f77_interface.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_calculations.F tmc_calculations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:33 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_calculations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_calculations.F90 /build/reproducible-path/cp2k-8.1/src/tmc/tmc_calculations.F:134:31: 134 | conf%potential = e_pot | ^ Warning: 'e_pot' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-8.1/src/tmc/tmc_calculations.F:134:31: Warning: 'e_pot' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_calculations.mod' due to: tmc_calculations.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_calculations.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cell_types.mod parallel_rng_types.mod tmc_move_types.mod kinds.mod f77_interface.mod cp_log_handling.mod base_hooks.mod mathconstants.mod tmc_stati.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_calculations.mod' due to: tmc_calculations.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_calculations.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod parallel_rng_types.mod tmc_types.mod tmc_move_types.mod cell_types.mod tmc_stati.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod f77_interface.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_file_io.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_file_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod tmc_tree_types.mod tmc_types.mod tmc_move_types.mod kinds.mod tmc_calculations.mod cp_files.mod cp_log_handling.mod base_hooks.mod tmc_stati.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_file_io.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_file_io.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_analysis_types.mod tmc_types.mod tmc_move_types.mod tmc_stati.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod tmc_calculations.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_file_io.F tmc_file_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:35 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_file_io.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_file_io.mod' due to: tmc_file_io.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_file_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod tmc_tree_types.mod tmc_types.mod tmc_move_types.mod kinds.mod tmc_calculations.mod cp_files.mod cp_log_handling.mod base_hooks.mod tmc_stati.mod physcon.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_file_io.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_file_io.mod' due to: tmc_file_io.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_file_io.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_analysis_types.mod tmc_types.mod tmc_move_types.mod tmc_stati.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod tmc_calculations.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_moves.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_moves.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cell_types.mod parallel_rng_types.mod tmc_move_types.mod kinds.mod tmc_calculations.mod physcon.mod cp_log_handling.mod base_hooks.mod mathconstants.mod mathlib.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_moves.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_moves.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod parallel_rng_types.mod tmc_types.mod tmc_move_types.mod cell_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod mathlib.mod tmc_calculations.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_moves.F tmc_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_moves.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_moves.mod' due to: tmc_moves.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_moves.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cell_types.mod parallel_rng_types.mod tmc_move_types.mod kinds.mod tmc_calculations.mod physcon.mod cp_log_handling.mod base_hooks.mod mathconstants.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_move_handle.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_handle.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod tmc_tree_types.mod tmc_types.mod tmc_move_types.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod mathconstants.mod tmc_stati.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_handle.F tmc_move_handle.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:42 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_move_handle.F90 -/build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_handle.F:303:48: - - 303 | move_types%mv_size(ind, :) = delta_x - | ^ -Warning: 'ind' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_move_handle.mod' due to: tmc_move_handle.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_handle.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod tmc_tree_types.mod tmc_types.mod tmc_move_types.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod mathconstants.mod tmc_stati.mod physcon.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_moves.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_moves.mod' due to: tmc_moves.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_moves.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod parallel_rng_types.mod tmc_types.mod tmc_move_types.mod cell_types.mod mathconstants.mod kinds.mod cp_log_handling.mod base_hooks.mod mathlib.mod tmc_calculations.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_dot_tree.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_dot_tree.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod cp_files.mod cp_log_handling.mod tmc_file_io.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_dot_tree.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_dot_tree.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_file_io.mod cp_files.mod cp_log_handling.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:44 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_dot_tree.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_dot_tree.mod' due to: tmc_dot_tree.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_dot_tree.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod cp_files.mod cp_log_handling.mod tmc_file_io.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_dot_tree.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_dot_tree.mod' due to: tmc_dot_tree.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_dot_tree.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_file_io.mod cp_files.mod cp_log_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_cancelation.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_cancelation.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_dot_tree.mod cp_log_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_cancelation.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_cancelation.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cp_log_handling.mod base_hooks.mod tmc_dot_tree.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_cancelation.F tmc_cancelation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:46 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_cancelation.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_cancelation.mod' due to: tmc_cancelation.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_cancelation.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_dot_tree.mod cp_log_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_cancelation.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_cancelation.mod' due to: tmc_cancelation.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_cancelation.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cp_log_handling.mod base_hooks.mod tmc_dot_tree.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_tree_references.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_references.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod cp_log_handling.mod base_hooks.mod tmc_cancelation.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_tree_references.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_references.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cp_log_handling.mod tmc_cancelation.mod base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_references.F tmc_tree_references.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_tree_references.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_tree_references.mod' due to: tmc_tree_references.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_references.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod cp_log_handling.mod base_hooks.mod tmc_cancelation.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_tree_references.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_tree_references.mod' due to: tmc_tree_references.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_references.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cp_log_handling.mod tmc_cancelation.mod base_hooks.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_tree_search.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_search.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod kinds.mod cp_log_handling.mod base_hooks.mod tmc_tree_references.mod tmc_stati.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_tree_search.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_search.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_stati.mod kinds.mod cp_log_handling.mod base_hooks.mod tmc_tree_references.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_search.F tmc_tree_search.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:48 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_tree_search.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_tree_search.mod' due to: tmc_tree_search.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_search.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod kinds.mod cp_log_handling.mod base_hooks.mod tmc_tree_references.mod tmc_stati.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_tree_search.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_tree_search.mod' due to: tmc_tree_search.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_search.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_stati.mod kinds.mod cp_log_handling.mod base_hooks.mod tmc_tree_references.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_move_handle.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_handle.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_stati.mod mathconstants.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_handle.F tmc_move_handle.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_move_handle.F90 +/build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_handle.F:303:48: + + 303 | move_types%mv_size(ind, :) = delta_x + | ^ +Warning: 'ind' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_move_handle.mod' due to: tmc_move_handle.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_move_handle.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_stati.mod mathconstants.mod kinds.mod string_utilities.mod cp_log_handling.mod base_hooks.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_tree_build.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_build.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_moves.mod kinds.mod tmc_calculations.mod tmc_move_handle.mod tmc_dot_tree.mod cp_log_handling.mod tmc_file_io.mod base_hooks.mod tmc_tree_search.mod tmc_tree_references.mod tmc_stati.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_tree_build.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_build.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_stati.mod tmc_file_io.mod tmc_moves.mod kinds.mod tmc_tree_search.mod cp_log_handling.mod base_hooks.mod tmc_move_handle.mod tmc_tree_references.mod tmc_calculations.mod tmc_dot_tree.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_build.F tmc_tree_build.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_tree_build.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_tree_build.mod' due to: tmc_tree_build.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_build.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_moves.mod kinds.mod tmc_calculations.mod tmc_move_handle.mod tmc_dot_tree.mod cp_log_handling.mod tmc_file_io.mod base_hooks.mod tmc_tree_search.mod tmc_tree_references.mod tmc_stati.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_tree_build.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_tree_build.mod' due to: tmc_tree_build.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_build.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_stati.mod tmc_file_io.mod tmc_moves.mod kinds.mod tmc_tree_search.mod cp_log_handling.mod base_hooks.mod tmc_move_handle.mod tmc_tree_references.mod tmc_calculations.mod tmc_dot_tree.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_messages.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_messages.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod tmc_tree_types.mod tmc_types.mod kinds.mod tmc_move_handle.mod message_passing.mod cp_log_handling.mod tmc_tree_build.mod base_hooks.mod tmc_stati.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_messages.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_messages.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod cp_para_types.mod tmc_types.mod tmc_stati.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod tmc_tree_build.mod tmc_move_handle.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_messages.F tmc_messages.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:54 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_messages.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_messages.mod' due to: tmc_messages.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_messages.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod tmc_tree_types.mod tmc_types.mod kinds.mod tmc_move_handle.mod message_passing.mod cp_log_handling.mod tmc_tree_build.mod base_hooks.mod tmc_stati.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:50:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_messages.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_messages.mod' due to: tmc_messages.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_messages.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod cp_para_types.mod tmc_types.mod tmc_stati.mod kinds.mod cp_log_handling.mod base_hooks.mod message_passing.mod tmc_tree_build.mod tmc_move_handle.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_analysis.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod input_section_types.mod tmc_tree_types.mod tmc_types.mod cell_types.mod kinds.mod tmc_calculations.mod cp_files.mod physcon.mod cp_log_handling.mod tmc_file_io.mod tmc_tree_build.mod base_hooks.mod mathconstants.mod force_fields_input.mod tmc_stati.mod mathlib.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis.F tmc_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:51:59 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_analysis.F90 -/build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis.F:1178:69: - - 1178 | voldr*ana_env%pair_correl%pairs(pair)%pair_count/vol) - | ^ -Warning: 'voldr' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_analysis.mod' due to: tmc_analysis.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod input_section_types.mod tmc_tree_types.mod tmc_types.mod cell_types.mod kinds.mod tmc_calculations.mod cp_files.mod physcon.mod cp_log_handling.mod tmc_file_io.mod tmc_tree_build.mod base_hooks.mod mathconstants.mod force_fields_input.mod tmc_stati.mod mathlib.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_tree_acceptance.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_acceptance.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod kinds.mod tmc_calculations.mod tmc_move_handle.mod tmc_dot_tree.mod cp_log_handling.mod tmc_file_io.mod tmc_tree_build.mod base_hooks.mod tmc_tree_search.mod tmc_stati.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_tree_acceptance.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_acceptance.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_stati.mod tmc_file_io.mod kinds.mod tmc_tree_search.mod cp_log_handling.mod base_hooks.mod tmc_move_handle.mod tmc_tree_build.mod tmc_calculations.mod physcon.mod tmc_dot_tree.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_acceptance.F tmc_tree_acceptance.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_tree_acceptance.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_tree_acceptance.F90 /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_acceptance.F:396:10: 396 | IF (parent_ready) THEN | ^ Warning: 'parent_ready' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_tree_acceptance.mod' due to: tmc_tree_acceptance.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_acceptance.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod kinds.mod tmc_calculations.mod tmc_move_handle.mod tmc_dot_tree.mod cp_log_handling.mod tmc_file_io.mod tmc_tree_build.mod base_hooks.mod tmc_tree_search.mod tmc_stati.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_tree_acceptance.mod' due to: tmc_tree_acceptance.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_tree_acceptance.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_stati.mod tmc_file_io.mod kinds.mod tmc_tree_search.mod cp_log_handling.mod base_hooks.mod tmc_move_handle.mod tmc_tree_build.mod tmc_calculations.mod physcon.mod tmc_dot_tree.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_analysis.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod tmc_tree_types.mod tmc_analysis_types.mod tmc_types.mod cell_types.mod tmc_stati.mod mathconstants.mod tmc_file_io.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod mathlib.mod tmc_tree_build.mod tmc_calculations.mod physcon.mod force_fields_input.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis.F tmc_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_analysis.F90 +/build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis.F:1178:69: + + 1178 | voldr*ana_env%pair_correl%pairs(pair)%pair_count/vol) + | ^ +Warning: 'voldr' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_analysis.mod' due to: tmc_analysis.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_analysis.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod tmc_tree_types.mod tmc_analysis_types.mod tmc_types.mod cell_types.mod tmc_stati.mod mathconstants.mod tmc_file_io.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod mathlib.mod tmc_tree_build.mod tmc_calculations.mod physcon.mod force_fields_input.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_worker.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_worker.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod molecule_list_types.mod tmc_analysis_types.mod tmc_types.mod particle_list_types.mod cell_types.mod cp_result_types.mod cp_subsys_types.mod cp_para_types.mod tmc_tree_types.mod tmc_move_types.mod tmc_moves.mod kinds.mod tmc_messages.mod cp_external_control.mod tmc_stati.mod tmc_calculations.mod tmc_analysis.mod tmc_tree_build.mod base_hooks.mod tmc_move_handle.mod f77_interface.mod cp_log_handling.mod cp_result_methods.mod tmc_tree_acceptance.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_worker.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_worker.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod tmc_tree_types.mod tmc_types.mod tmc_move_types.mod cp_result_types.mod cp_para_types.mod molecule_list_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod tmc_moves.mod cp_log_handling.mod tmc_messages.mod tmc_tree_build.mod tmc_stati.mod tmc_tree_acceptance.mod tmc_move_handle.mod kinds.mod base_hooks.mod f77_interface.mod tmc_calculations.mod cp_external_control.mod cp_result_methods.mod tmc_analysis.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_worker.F tmc_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_worker.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_worker.mod' due to: tmc_worker.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_worker.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod molecule_list_types.mod tmc_analysis_types.mod tmc_types.mod particle_list_types.mod cell_types.mod cp_result_types.mod cp_subsys_types.mod cp_para_types.mod tmc_tree_types.mod tmc_move_types.mod tmc_moves.mod kinds.mod tmc_messages.mod cp_external_control.mod tmc_stati.mod tmc_calculations.mod tmc_analysis.mod tmc_tree_build.mod base_hooks.mod tmc_move_handle.mod f77_interface.mod cp_log_handling.mod cp_result_methods.mod tmc_tree_acceptance.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_worker.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_worker.mod' due to: tmc_worker.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_worker.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod tmc_tree_types.mod tmc_types.mod tmc_move_types.mod cp_result_types.mod cp_para_types.mod molecule_list_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod tmc_moves.mod cp_log_handling.mod tmc_messages.mod tmc_tree_build.mod tmc_stati.mod tmc_tree_acceptance.mod tmc_move_handle.mod kinds.mod base_hooks.mod f77_interface.mod tmc_calculations.mod cp_external_control.mod cp_result_methods.mod tmc_analysis.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_master.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_master.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod cell_types.mod global_types.mod cp_para_types.mod tmc_tree_types.mod kinds.mod tmc_messages.mod cp_external_control.mod tmc_file_io.mod tmc_tree_search.mod tmc_stati.mod tmc_calculations.mod tmc_tree_build.mod base_hooks.mod machine.mod tmc_move_handle.mod cp_log_handling.mod tmc_cancelation.mod tmc_tree_acceptance.mod tmc_dot_tree.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_master.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_master.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cp_para_types.mod global_types.mod cell_types.mod tmc_file_io.mod cp_log_handling.mod tmc_messages.mod tmc_tree_build.mod tmc_dot_tree.mod tmc_stati.mod tmc_move_handle.mod machine.mod kinds.mod tmc_tree_search.mod tmc_cancelation.mod base_hooks.mod tmc_calculations.mod cp_external_control.mod tmc_tree_acceptance.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_master.F tmc_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_master.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_master.mod' due to: tmc_master.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_master.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod cell_types.mod global_types.mod cp_para_types.mod tmc_tree_types.mod kinds.mod tmc_messages.mod cp_external_control.mod tmc_file_io.mod tmc_tree_search.mod tmc_stati.mod tmc_calculations.mod tmc_tree_build.mod base_hooks.mod machine.mod tmc_move_handle.mod cp_log_handling.mod tmc_cancelation.mod tmc_tree_acceptance.mod tmc_dot_tree.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_master.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_master.mod' due to: tmc_master.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_master.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cp_para_types.mod global_types.mod cell_types.mod tmc_file_io.mod cp_log_handling.mod tmc_messages.mod tmc_tree_build.mod tmc_dot_tree.mod tmc_stati.mod tmc_move_handle.mod machine.mod kinds.mod tmc_tree_search.mod tmc_cancelation.mod base_hooks.mod tmc_calculations.mod cp_external_control.mod tmc_tree_acceptance.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_setup.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_setup.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod tmc_types.mod parallel_rng_types.mod input_section_types.mod global_types.mod cp_para_types.mod tmc_tree_types.mod kinds.mod message_passing.mod tmc_file_io.mod tmc_stati.mod tmc_worker.mod bibliography.mod cp_files.mod tmc_analysis.mod tmc_tree_build.mod base_hooks.mod machine.mod physcon.mod tmc_move_handle.mod cp_para_env.mod f77_interface.mod cp_log_handling.mod header.mod tmc_master.mod environment.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_setup.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_setup.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod tmc_analysis_types.mod tmc_tree_types.mod parallel_rng_types.mod tmc_types.mod cp_para_types.mod global_types.mod tmc_file_io.mod header.mod cp_log_handling.mod environment.mod message_passing.mod tmc_tree_build.mod tmc_stati.mod tmc_worker.mod bibliography.mod tmc_move_handle.mod machine.mod cp_para_env.mod kinds.mod base_hooks.mod tmc_master.mod f77_interface.mod physcon.mod tmc_analysis.mod cp_files.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_setup.F tmc_setup.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:16 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_setup.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_setup.mod' due to: tmc_setup.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_setup.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod tmc_types.mod parallel_rng_types.mod input_section_types.mod global_types.mod cp_para_types.mod tmc_tree_types.mod kinds.mod message_passing.mod tmc_file_io.mod tmc_stati.mod tmc_worker.mod bibliography.mod cp_files.mod tmc_analysis.mod tmc_tree_build.mod base_hooks.mod machine.mod physcon.mod tmc_move_handle.mod cp_para_env.mod f77_interface.mod cp_log_handling.mod header.mod tmc_master.mod environment.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_setup.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tmc_setup.mod' due to: tmc_setup.o /build/reproducible-path/cp2k-8.1/src/tmc/tmc_setup.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod tmc_analysis_types.mod tmc_tree_types.mod parallel_rng_types.mod tmc_types.mod cp_para_types.mod global_types.mod tmc_file_io.mod header.mod cp_log_handling.mod environment.mod message_passing.mod tmc_tree_build.mod tmc_stati.mod tmc_worker.mod bibliography.mod tmc_move_handle.mod machine.mod cp_para_env.mod kinds.mod base_hooks.mod tmc_master.mod f77_interface.mod physcon.mod tmc_analysis.mod cp_files.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'vibrational_analysis.mod' due to: vibrational_analysis.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ipi_driver.mod' due to: ipi_driver.o +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm_message.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm_message.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod kinds.mod base_hooks.mod cp_parser_methods.mod message_passing.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm_message.F swarm_message.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm_message.F90 +/build/reproducible-path/cp2k-8.1/src/swarm/swarm_message.F:254:41: + + 254 | curr_entry => curr_entry%next + | ^ +Warning: 'curr_entry' may be used uninitialized in this function [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm_message.mod' due to: swarm_message.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm_message.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod kinds.mod base_hooks.mod cp_parser_methods.mod message_passing.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_worker.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_worker.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod force_env_types.mod global_types.mod mdctrl_types.mod cp_subsys_types.mod kinds.mod md_run.mod base_hooks.mod f77_interface.mod geo_opt.mod physcon.mod swarm_message.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_worker.F glbopt_worker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_worker.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_worker.mod' due to: glbopt_worker.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_worker.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod force_env_types.mod global_types.mod mdctrl_types.mod cp_subsys_types.mod kinds.mod md_run.mod base_hooks.mod f77_interface.mod geo_opt.mod physcon.mod swarm_message.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm_worker.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm_worker.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod swarm_message.mod glbopt_worker.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm_worker.F swarm_worker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm_worker.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm_worker.mod' due to: swarm_worker.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm_worker.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod swarm_message.mod glbopt_worker.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm_mpi.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm_mpi.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_iter_types.mod cp_para_env.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod swarm_message.mod message_passing.mod machine.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm_mpi.F swarm_mpi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm_mpi.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm_mpi.mod' due to: swarm_mpi.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm_mpi.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_iter_types.mod cp_para_env.mod cp_files.mod kinds.mod cp_log_handling.mod base_hooks.mod swarm_message.mod message_passing.mod machine.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_history.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_history.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_history.F glbopt_history.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_history.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_history.mod' due to: glbopt_history.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_history.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_mincrawl.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_mincrawl.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod particle_types.mod cp_units.mod kinds.mod cp_log_handling.mod glbopt_history.mod base_hooks.mod input_constants.mod swarm_message.mod physcon.mod particle_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_mincrawl.F glbopt_mincrawl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_mincrawl.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_mincrawl.mod' due to: glbopt_mincrawl.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_mincrawl.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod particle_types.mod cp_units.mod kinds.mod cp_log_handling.mod glbopt_history.mod base_hooks.mod input_constants.mod swarm_message.mod physcon.mod particle_methods.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_minhop.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_minhop.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod glbopt_history.mod base_hooks.mod bibliography.mod physcon.mod swarm_message.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_minhop.F glbopt_minhop.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_minhop.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_minhop.mod' due to: glbopt_minhop.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_minhop.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod glbopt_history.mod base_hooks.mod bibliography.mod physcon.mod swarm_message.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_master.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_master.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod cp_log_handling.mod cp_units.mod glbopt_mincrawl.mod topology.mod particle_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod input_constants.mod glbopt_minhop.mod swarm_message.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_master.F glbopt_master.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_master.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_master.mod' due to: glbopt_master.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_master.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod molecule_types.mod exclusion_types.mod cp_para_types.mod cp_log_handling.mod cp_units.mod glbopt_mincrawl.mod topology.mod particle_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod input_constants.mod glbopt_minhop.mod swarm_message.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm_master.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm_master.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod global_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod swarm_message.mod glbopt_master.mod cp_external_control.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm_master.F swarm_master.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm_master.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm_master.mod' due to: swarm_master.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm_master.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_parser_types.mod global_types.mod kinds.mod cp_log_handling.mod base_hooks.mod input_constants.mod swarm_message.mod glbopt_master.mod cp_external_control.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod global_types.mod swarm_worker.mod kinds.mod cp_log_handling.mod base_hooks.mod swarm_message.mod swarm_mpi.mod swarm_master.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm.F swarm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm.mod' due to: swarm.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod global_types.mod swarm_worker.mod kinds.mod cp_log_handling.mod base_hooks.mod swarm_message.mod swarm_mpi.mod swarm_master.mod cp_output_handling.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_module.mod' due to: qs_tddfpt_module.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'ipi_driver.mod' due to: ipi_driver.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp2k_debug.mod' due to: cp2k_debug.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'library_tests.mod' due to: library_tests.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mscfg_methods.mod' due to: mscfg_methods.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_input.mod' due to: optimize_input.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_basis.mod' due to: optimize_basis.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'neb_methods.mod' due to: neb_methods.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod fist_environment_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod cp_para_types.mod pair_potential_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod cp_units.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod cp_files.mod string_utilities.mod input_constants.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_types.F mc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_types.mod' due to: mc_types.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod fist_environment_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod cp_para_types.mod pair_potential_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod cp_units.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod cp_files.mod string_utilities.mod input_constants.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_control.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod force_env_types.mod mc_types.mod parallel_rng_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_files.mod base_hooks.mod physcon.mod f77_interface.mod cp_log_handling.mod mc_misc.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_environment_types.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_environment_types.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_types.mod force_env_types.mod base_hooks.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_environment_types.F mc_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_environment_types.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_environment_types.mod' due to: mc_environment_types.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_environment_types.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_types.mod force_env_types.mod base_hooks.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_move_control.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_move_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_types.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_move_control.F mc_move_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_move_control.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_move_control.mod' due to: mc_move_control.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_move_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_types.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_misc.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_misc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_types.mod force_env_types.mod mathconstants.mod cp_files.mod kinds.mod base_hooks.mod physcon.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_misc.F mc_misc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_misc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_misc.mod' due to: mc_misc.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_misc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_types.mod force_env_types.mod mathconstants.mod cp_files.mod kinds.mod base_hooks.mod physcon.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tamc_run.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/tamc_run.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod molecule_kind_list_types.mod averages_types.mod barostat_types.mod mc_environment_types.mod md_ener_types.mod reftraj_types.mod thermal_region_types.mod metadynamics_types.mod parallel_rng_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod free_energy_types.mod molecule_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod thermostat_types.mod virial_types.mod distribution_1d_types.mod mc_types.mod molecule_list_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod mc_move_control.mod md_run.mod cp_log_handling.mod force_env_methods.mod simpar_methods.mod colvar_methods.mod cp_units.mod input_cp2k_check.mod md_energies.mod thermostat_methods.mod virial_methods.mod qs_scf_post_gpw.mod bibliography.mod cp_output_handling.mod machine.mod input_cp2k_restarts.mod thermal_region_utils.mod wiener_process.mod kinds.mod reftraj_util.mod base_hooks.mod physcon.mod cp_external_control.mod qmmm_util.mod reference_manager.mod mc_misc.mod string_utilities.mod input_constants.mod constraint_fxd.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/tamc_run.F tamc_run.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tamc_run.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'tamc_run.mod' due to: tamc_run.o /build/reproducible-path/cp2k-8.1/src/motion/mc/tamc_run.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod simpar_types.mod molecule_kind_list_types.mod averages_types.mod barostat_types.mod mc_environment_types.mod md_ener_types.mod reftraj_types.mod thermal_region_types.mod metadynamics_types.mod parallel_rng_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod free_energy_types.mod molecule_types.mod md_environment_types.mod cp_para_types.mod atomic_kind_list_types.mod thermostat_types.mod virial_types.mod distribution_1d_types.mod mc_types.mod molecule_list_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod qs_environment_types.mod mc_move_control.mod md_run.mod cp_log_handling.mod force_env_methods.mod simpar_methods.mod colvar_methods.mod cp_units.mod input_cp2k_check.mod md_energies.mod thermostat_methods.mod virial_methods.mod qs_scf_post_gpw.mod bibliography.mod cp_output_handling.mod machine.mod input_cp2k_restarts.mod thermal_region_utils.mod wiener_process.mod kinds.mod reftraj_util.mod base_hooks.mod physcon.mod cp_external_control.mod qmmm_util.mod reference_manager.mod mc_misc.mod string_utilities.mod input_constants.mod constraint_fxd.mod +true +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_control.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_control.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod parallel_rng_types.mod molecule_kind_types.mod cp_para_types.mod mc_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod message_passing.mod kinds.mod base_hooks.mod f77_interface.mod physcon.mod cp_files.mod mc_misc.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_control.F mc_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:19 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mc_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_control.F90 /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_control.F:289:54: 289 | atom_symbols(iunit) = atom_names(iunit, 1) | 1 Warning: CHARACTER expression will be truncated in assignment (5/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_control.mod' due to: mc_control.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod force_env_types.mod mc_types.mod parallel_rng_types.mod molecule_kind_list_types.mod input_section_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_files.mod base_hooks.mod physcon.mod f77_interface.mod cp_log_handling.mod mc_misc.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_control.mod' due to: mc_control.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_control.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atomic_kind_types.mod molecule_kind_list_types.mod parallel_rng_types.mod molecule_kind_types.mod cp_para_types.mod mc_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod cp_log_handling.mod message_passing.mod kinds.mod base_hooks.mod f77_interface.mod physcon.mod cp_files.mod mc_misc.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_coordinates.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_coordinates.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod particle_list_types.mod molecule_types.mod mc_types.mod cell_types.mod parallel_rng_types.mod force_env_types.mod kinds.mod message_passing.mod base_hooks.mod mathconstants.mod force_env_methods.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_coordinates.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_coordinates.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod mc_types.mod parallel_rng_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod mathconstants.mod kinds.mod base_hooks.mod force_env_methods.mod message_passing.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_coordinates.F mc_coordinates.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:21 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mc_coordinates.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_coordinates.mod' due to: mc_coordinates.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_coordinates.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod particle_list_types.mod molecule_types.mod mc_types.mod cell_types.mod parallel_rng_types.mod force_env_types.mod kinds.mod message_passing.mod base_hooks.mod mathconstants.mod force_env_methods.mod physcon.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_coordinates.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_coordinates.mod' due to: mc_coordinates.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_coordinates.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod mc_types.mod parallel_rng_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod mathconstants.mod kinds.mod base_hooks.mod force_env_methods.mod message_passing.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_moves.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_moves.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod force_env_types.mod mc_types.mod parallel_rng_types.mod molecule_kind_list_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod global_types.mod cp_subsys_types.mod kinds.mod message_passing.mod mc_coordinates.mod force_env_methods.mod base_hooks.mod mathconstants.mod physcon.mod cp_log_handling.mod md_run.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_moves.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_moves.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_list_types.mod parallel_rng_types.mod molecule_kind_types.mod mc_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod md_run.mod cp_log_handling.mod force_env_methods.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod mc_coordinates.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_moves.F mc_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mc_moves.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_moves.mod' due to: mc_moves.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_moves.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod force_env_types.mod mc_types.mod parallel_rng_types.mod molecule_kind_list_types.mod particle_list_types.mod molecule_kind_types.mod cell_types.mod global_types.mod cp_subsys_types.mod kinds.mod message_passing.mod mc_coordinates.mod force_env_methods.mod base_hooks.mod mathconstants.mod physcon.mod cp_log_handling.mod md_run.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_moves.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_moves.mod' due to: mc_moves.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_moves.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_list_types.mod parallel_rng_types.mod molecule_kind_types.mod mc_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod md_run.mod cp_log_handling.mod force_env_methods.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod mc_coordinates.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_ge_moves.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ge_moves.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod parallel_rng_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod mc_coordinates.mod force_env_methods.mod mc_control.mod mc_move_control.mod base_hooks.mod physcon.mod particle_methods.mod input_constants.mod mc_misc.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_ge_moves.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ge_moves.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod cp_para_types.mod mc_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod mc_move_control.mod force_env_methods.mod message_passing.mod mc_control.mod particle_methods.mod kinds.mod base_hooks.mod physcon.mod mc_misc.mod input_constants.mod mc_coordinates.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ge_moves.F mc_ge_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mc_ge_moves.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_ge_moves.F90 /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ge_moves.F:1092:38: 1092 | DEALLOCATE (test_env_bias) @@ -48775,183 +48875,118 @@ 676 | IF (itype == molecule_type) EXIT | ^ Warning: 'molecule_type' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_ge_moves.mod' due to: mc_ge_moves.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ge_moves.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod parallel_rng_types.mod input_section_types.mod particle_list_types.mod cell_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod mc_coordinates.mod force_env_methods.mod mc_control.mod mc_move_control.mod base_hooks.mod physcon.mod particle_methods.mod input_constants.mod mc_misc.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_ge_moves.mod' due to: mc_ge_moves.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ge_moves.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod cp_para_types.mod mc_types.mod particle_list_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod mc_move_control.mod force_env_methods.mod message_passing.mod mc_control.mod particle_methods.mod kinds.mod base_hooks.mod physcon.mod mc_misc.mod input_constants.mod mc_coordinates.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_ensembles.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ensembles.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod mc_environment_types.mod mc_types.mod parallel_rng_types.mod input_section_types.mod particle_list_types.mod cell_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_external_control.mod mc_coordinates.mod force_env_methods.mod mc_moves.mod cp_files.mod mc_control.mod mc_move_control.mod mc_ge_moves.mod base_hooks.mod mathconstants.mod machine.mod physcon.mod particle_methods.mod cp_log_handling.mod input_constants.mod cp_units.mod mc_misc.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_ensembles.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ensembles.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod mc_environment_types.mod parallel_rng_types.mod cp_para_types.mod mc_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod mc_move_control.mod cp_log_handling.mod force_env_methods.mod message_passing.mod cp_units.mod mc_control.mod particle_methods.mod machine.mod mathconstants.mod kinds.mod base_hooks.mod mc_moves.mod physcon.mod cp_external_control.mod cp_files.mod mc_misc.mod input_constants.mod mc_ge_moves.mod mc_coordinates.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ensembles.F mc_ensembles.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:38 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mc_ensembles.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_ensembles.F90 /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ensembles.F:142:66: 142 | start_atom, start_atom_swap, start_atom_target, start_mol | ^ Warning: 'start_mol' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_ensembles.mod' due to: mc_ensembles.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ensembles.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod mc_environment_types.mod mc_types.mod parallel_rng_types.mod input_section_types.mod particle_list_types.mod cell_types.mod global_types.mod cp_subsys_types.mod cp_para_types.mod kinds.mod message_passing.mod cp_external_control.mod mc_coordinates.mod force_env_methods.mod mc_moves.mod cp_files.mod mc_control.mod mc_move_control.mod mc_ge_moves.mod base_hooks.mod mathconstants.mod machine.mod physcon.mod particle_methods.mod cp_log_handling.mod input_constants.mod cp_units.mod mc_misc.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_ensembles.mod' due to: mc_ensembles.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_ensembles.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod mc_environment_types.mod parallel_rng_types.mod cp_para_types.mod mc_types.mod particle_list_types.mod global_types.mod force_env_types.mod cell_types.mod cp_subsys_types.mod mc_move_control.mod cp_log_handling.mod force_env_methods.mod message_passing.mod cp_units.mod mc_control.mod particle_methods.mod machine.mod mathconstants.mod kinds.mod base_hooks.mod mc_moves.mod physcon.mod cp_external_control.mod cp_files.mod mc_misc.mod input_constants.mod mc_ge_moves.mod mc_coordinates.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_run.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_run.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod mc_environment_types.mod mc_types.mod parallel_rng_types.mod force_env_types.mod global_types.mod kinds.mod cp_log_handling.mod mc_control.mod base_hooks.mod mc_ensembles.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'mc_run.o' due to: /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_run.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_environment_types.mod input_section_types.mod mc_types.mod cp_para_types.mod parallel_rng_types.mod global_types.mod force_env_types.mod kinds.mod cp_log_handling.mod base_hooks.mod mc_ensembles.mod mc_control.mod physcon.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_run.F mc_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:47 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' mc_run.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/reproducible-path/cp2k-8.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_run.F90 /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_run.F:171:36: 171 | ALLOCATE (force_env(1:nboxes)) | ^ Warning: 'nboxes' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_run.mod' due to: mc_run.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_run.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod mc_environment_types.mod mc_types.mod parallel_rng_types.mod force_env_types.mod global_types.mod kinds.mod cp_log_handling.mod mc_control.mod base_hooks.mod mc_ensembles.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'mc_run.mod' due to: mc_run.o /build/reproducible-path/cp2k-8.1/src/motion/mc/mc_run.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mc_environment_types.mod input_section_types.mod mc_types.mod cp_para_types.mod parallel_rng_types.mod global_types.mod force_env_types.mod kinds.mod cp_log_handling.mod base_hooks.mod mc_ensembles.mod mc_control.mod physcon.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_input.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_input.F glbopt_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:50 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' glbopt_input.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_input.mod' due to: glbopt_input.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm_input.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod glbopt_input.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm_input.F swarm_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' swarm_input.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm_input.mod' due to: swarm_input.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod string_utilities.mod cp_output_handling.mod base_hooks.mod input_constants.mod glbopt_input.mod +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_methods.mod' due to: pint_methods.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_negf.mod' due to: input_cp2k_negf.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'negf_methods.mod' due to: negf_methods.o true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_optimize_basis.mod' due to: input_optimize_basis.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_vib.mod' due to: input_cp2k_vib.o -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_optimize_input.mod' due to: input_optimize_input.o -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_atom.mod' due to: input_cp2k_atom.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_tmc.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/input_cp2k_tmc.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod tmc_stati.mod kinds.mod base_hooks.mod bibliography.mod input_cp2k_mm.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_tmc.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_tmc.mod' due to: input_cp2k_tmc.o /build/reproducible-path/cp2k-8.1/src/tmc/input_cp2k_tmc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod tmc_stati.mod kinds.mod base_hooks.mod bibliography.mod input_cp2k_mm.mod true /build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_constraints.mod' due to: input_cp2k_constraints.o true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_tmc.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/input_cp2k_tmc.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod base_hooks.mod input_cp2k_mm.mod tmc_stati.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:51 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_tmc.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_tmc.mod' due to: input_cp2k_tmc.o /build/reproducible-path/cp2k-8.1/src/tmc/input_cp2k_tmc.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod base_hooks.mod input_cp2k_mm.mod tmc_stati.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_motion.o' due to: /build/reproducible-path/cp2k-8.1/src/start/input_cp2k_motion.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_thermostats.mod input_cp2k_md.mod string_utilities.mod cp_units.mod cp_output_handling.mod input_cp2k_subsys.mod input_cp2k_free_energy.mod base_hooks.mod input_cp2k_constraints.mod input_cp2k_tmc.mod input_constants.mod input_cp2k_motion_print.mod input_cp2k_neb.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k_motion.o' due to: /build/reproducible-path/cp2k-8.1/src/start/input_cp2k_motion.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod input_cp2k_neb.mod input_cp2k_tmc.mod kinds.mod input_cp2k_md.mod string_utilities.mod input_cp2k_motion_print.mod base_hooks.mod input_cp2k_free_energy.mod input_constants.mod input_cp2k_thermostats.mod input_cp2k_constraints.mod bibliography.mod input_cp2k_subsys.mod cp_output_handling.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/start/input_cp2k_motion.F input_cp2k_motion.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:52 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k_motion.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_motion.mod' due to: input_cp2k_motion.o /build/reproducible-path/cp2k-8.1/src/start/input_cp2k_motion.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod bibliography.mod input_cp2k_thermostats.mod input_cp2k_md.mod string_utilities.mod cp_units.mod cp_output_handling.mod input_cp2k_subsys.mod input_cp2k_free_energy.mod base_hooks.mod input_cp2k_constraints.mod input_cp2k_tmc.mod input_constants.mod input_cp2k_motion_print.mod input_cp2k_neb.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k.o' due to: /build/reproducible-path/cp2k-8.1/src/start/input_cp2k.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod input_cp2k_rsgrid.mod string_utilities.mod swarm_input.mod input_cp2k_negf.mod shg_integrals_test.mod cp_eri_mme_interface.mod input_optimize_basis.mod cp_output_handling.mod input_cp2k_vib.mod base_hooks.mod input_optimize_input.mod input_cp2k_atom.mod input_cp2k_global.mod input_constants.mod input_cp2k_motion.mod pw_grids.mod input_cp2k_force_eval.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/start/input_cp2k.F input_cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:52:58 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' input_cp2k.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k.mod' due to: input_cp2k.o /build/reproducible-path/cp2k-8.1/src/start/input_cp2k.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod input_cp2k_rsgrid.mod string_utilities.mod swarm_input.mod input_cp2k_negf.mod shg_integrals_test.mod cp_eri_mme_interface.mod input_optimize_basis.mod cp_output_handling.mod input_cp2k_vib.mod base_hooks.mod input_optimize_input.mod input_cp2k_atom.mod input_cp2k_global.mod input_constants.mod input_cp2k_motion.mod pw_grids.mod input_cp2k_force_eval.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp2k_debug.mod' due to: cp2k_debug.o -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm_message.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm_message.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod kinds.mod message_passing.mod cp_parser_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm_message.F swarm_message.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:01 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' swarm_message.F90 -/build/reproducible-path/cp2k-8.1/src/swarm/swarm_message.F:254:41: - - 254 | curr_entry => curr_entry%next - | ^ -Warning: 'curr_entry' may be used uninitialized in this function [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm_message.mod' due to: swarm_message.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm_message.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod kinds.mod message_passing.mod cp_parser_methods.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_worker.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_worker.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mdctrl_types.mod cp_subsys_types.mod input_section_types.mod cp_para_types.mod force_env_types.mod global_types.mod kinds.mod f77_interface.mod swarm_message.mod base_hooks.mod geo_opt.mod physcon.mod md_run.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_worker.F glbopt_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:03 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' glbopt_worker.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_worker.mod' due to: glbopt_worker.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_worker.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 mdctrl_types.mod cp_subsys_types.mod input_section_types.mod cp_para_types.mod force_env_types.mod global_types.mod kinds.mod f77_interface.mod swarm_message.mod base_hooks.mod geo_opt.mod physcon.mod md_run.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm_worker.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm_worker.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod glbopt_worker.mod swarm_message.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm_worker.F swarm_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:05 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' swarm_worker.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm_worker.mod' due to: swarm_worker.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm_worker.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod kinds.mod cp_output_handling.mod cp_log_handling.mod base_hooks.mod input_constants.mod glbopt_worker.mod swarm_message.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm_mpi.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm_mpi.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_iter_types.mod kinds.mod cp_files.mod cp_para_env.mod message_passing.mod cp_log_handling.mod base_hooks.mod machine.mod swarm_message.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm_mpi.F swarm_mpi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' swarm_mpi.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm_mpi.mod' due to: swarm_mpi.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm_mpi.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_iter_types.mod kinds.mod cp_files.mod cp_para_env.mod message_passing.mod cp_log_handling.mod base_hooks.mod machine.mod swarm_message.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_history.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_history.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_history.F glbopt_history.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:07 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' glbopt_history.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_history.mod' due to: glbopt_history.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_history.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_minhop.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_minhop.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod bibliography.mod glbopt_history.mod swarm_message.mod base_hooks.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_minhop.F glbopt_minhop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:08 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' glbopt_minhop.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_minhop.mod' due to: glbopt_minhop.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_minhop.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod bibliography.mod glbopt_history.mod swarm_message.mod base_hooks.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_mincrawl.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_mincrawl.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod parallel_rng_types.mod kinds.mod particle_methods.mod cp_output_handling.mod cp_units.mod glbopt_history.mod cp_log_handling.mod swarm_message.mod base_hooks.mod input_constants.mod physcon.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_mincrawl.F glbopt_mincrawl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:09 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' glbopt_mincrawl.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_mincrawl.mod' due to: glbopt_mincrawl.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_mincrawl.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod parallel_rng_types.mod kinds.mod particle_methods.mod cp_output_handling.mod cp_units.mod glbopt_history.mod cp_log_handling.mod swarm_message.mod base_hooks.mod input_constants.mod physcon.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_master.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_master.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod colvar_types.mod particle_types.mod input_section_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod kinds.mod swarm_message.mod cp_output_handling.mod base_hooks.mod glbopt_minhop.mod particle_methods.mod cp_log_handling.mod glbopt_mincrawl.mod input_constants.mod cp_units.mod topology.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_master.F glbopt_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:11 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' glbopt_master.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_master.mod' due to: glbopt_master.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_master.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod colvar_types.mod particle_types.mod input_section_types.mod molecule_kind_types.mod molecule_types.mod cp_para_types.mod kinds.mod swarm_message.mod cp_output_handling.mod base_hooks.mod glbopt_minhop.mod particle_methods.mod cp_log_handling.mod glbopt_mincrawl.mod input_constants.mod cp_units.mod topology.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_motion.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_motion.mod' due to: input_cp2k_motion.o /build/reproducible-path/cp2k-8.1/src/start/input_cp2k_motion.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod cp_units.mod input_cp2k_neb.mod input_cp2k_tmc.mod kinds.mod input_cp2k_md.mod string_utilities.mod input_cp2k_motion_print.mod base_hooks.mod input_cp2k_free_energy.mod input_constants.mod input_cp2k_thermostats.mod input_cp2k_constraints.mod bibliography.mod input_cp2k_subsys.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm_master.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm_master.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod global_types.mod kinds.mod cp_external_control.mod cp_output_handling.mod glbopt_master.mod cp_log_handling.mod base_hooks.mod input_constants.mod swarm_message.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm_master.F swarm_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:12 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' swarm_master.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm_master.mod' due to: swarm_master.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm_master.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod global_types.mod kinds.mod cp_external_control.mod cp_output_handling.mod glbopt_master.mod cp_log_handling.mod base_hooks.mod input_constants.mod swarm_message.mod -true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod global_types.mod kinds.mod swarm_worker.mod swarm_mpi.mod cp_output_handling.mod cp_log_handling.mod swarm_master.mod base_hooks.mod swarm_message.mod -/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm.F swarm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:13 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' swarm.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm.mod' due to: swarm.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod global_types.mod kinds.mod swarm_worker.mod swarm_mpi.mod cp_output_handling.mod cp_log_handling.mod swarm_master.mod base_hooks.mod swarm_message.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'glbopt_input.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_input.F glbopt_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_input.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'glbopt_input.mod' due to: glbopt_input.o /build/reproducible-path/cp2k-8.1/src/swarm/glbopt_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod kinds.mod string_utilities.mod base_hooks.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'atom.mod' due to: atom.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'swarm_input.o' due to: /build/reproducible-path/cp2k-8.1/src/swarm/swarm_input.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod string_utilities.mod glbopt_input.mod base_hooks.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/swarm/swarm_input.F swarm_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/reproducible-path/cp2k-8.1/src/swarm/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm_input.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'swarm_input.mod' due to: swarm_input.o /build/reproducible-path/cp2k-8.1/src/swarm/swarm_input.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod string_utilities.mod glbopt_input.mod base_hooks.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'farming_methods.mod' due to: farming_methods.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_optimize_input.mod' due to: input_optimize_input.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'optimize_basis.mod' due to: optimize_basis.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_atom.mod' due to: input_cp2k_atom.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'pint_methods.mod' due to: pint_methods.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_negf.mod' due to: input_cp2k_negf.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'bsse.mod' due to: bsse.o +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k_vib.mod' due to: input_cp2k_vib.o true -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cell_opt.mod' due to: cell_opt.o +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'input_cp2k.o' due to: /build/reproducible-path/cp2k-8.1/src/start/input_cp2k.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod pw_grids.mod input_optimize_basis.mod input_cp2k_motion.mod cp_eri_mme_interface.mod swarm_input.mod input_cp2k_global.mod input_cp2k_rsgrid.mod cp_output_handling.mod input_optimize_input.mod kinds.mod input_cp2k_atom.mod base_hooks.mod input_cp2k_negf.mod string_utilities.mod input_constants.mod input_cp2k_force_eval.mod input_cp2k_vib.mod shg_integrals_test.mod +/build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/start/input_cp2k.F input_cp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'input_cp2k.mod' due to: input_cp2k.o /build/reproducible-path/cp2k-8.1/src/start/input_cp2k.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod input_keyword_types.mod pw_grids.mod input_optimize_basis.mod input_cp2k_motion.mod cp_eri_mme_interface.mod swarm_input.mod input_cp2k_global.mod input_cp2k_rsgrid.mod cp_output_handling.mod input_optimize_input.mod kinds.mod input_cp2k_atom.mod base_hooks.mod input_cp2k_negf.mod string_utilities.mod input_constants.mod input_cp2k_force_eval.mod input_cp2k_vib.mod shg_integrals_test.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp2k_runs.o' due to: /build/reproducible-path/cp2k-8.1/src/start/cp2k_runs.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod global_types.mod input_keyword_types.mod cp_parser_types.mod cp_para_types.mod farming_types.mod tamc_run.mod kinds.mod negf_methods.mod message_passing.mod pw_cuda.mod string_utilities.mod tmc_setup.mod vibrational_analysis.mod cuda_profiling.mod reference_manager.mod force_env_methods.mod qs_tddfpt_module.mod ipi_driver.mod bibliography.mod pw_fpga.mod cp_files.mod input_parsing.mod library_tests.mod cp_output_handling.mod input_cp2k_read.mod mscfg_methods.mod base_hooks.mod input_cp2k_check.mod optimize_input.mod machine.mod neb_methods.mod grid_api.mod cp_para_env.mod mc_run.mod input_cp2k_global.mod f77_interface.mod cp_log_handling.mod rt_propagation.mod input_cp2k.mod input_constants.mod md_run.mod qs_linres_module.mod cp2k_debug.mod cp_parser_methods.mod swarm.mod cp_dbcsr_cp2k_link.mod cp2k_info.mod atom.mod cp_units.mod environment.mod farming_methods.mod optimize_basis.mod pint_methods.mod bsse.mod geo_opt.mod cell_opt.mod sirius_interface.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp2k_runs.o' due to: /build/reproducible-path/cp2k-8.1/src/start/cp2k_runs.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod farming_types.mod input_keyword_types.mod cp_control_types.mod cp_parser_types.mod global_types.mod force_env_types.mod qs_environment_types.mod atom.mod md_run.mod cp_log_handling.mod force_env_methods.mod environment.mod grid_api.mod vibrational_analysis.mod input_parsing.mod message_passing.mod cell_opt.mod cp_units.mod neb_methods.mod optimize_input.mod cp2k_info.mod input_cp2k_read.mod input_cp2k_global.mod bsse.mod geo_opt.mod cp_dbcsr_cp2k_link.mod cp_parser_methods.mod bibliography.mod farming_methods.mod cp_output_handling.mod machine.mod qs_linres_module.mod cp_para_env.mod tmc_setup.mod pw_fpga.mod cuda_profiling.mod kinds.mod ipi_driver.mod base_hooks.mod swarm.mod qs_tddfpt_module.mod pw_cuda.mod rt_propagation.mod f77_interface.mod cp2k_debug.mod library_tests.mod mscfg_methods.mod optimize_basis.mod reference_manager.mod cp_files.mod tamc_run.mod mc_run.mod string_utilities.mod pint_methods.mod input_constants.mod negf_methods.mod sirius_interface.mod input_cp2k_check.mod input_cp2k.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/start/cp2k_runs.F cp2k_runs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:15 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp2k_runs.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp2k_runs.mod' due to: cp2k_runs.o /build/reproducible-path/cp2k-8.1/src/start/cp2k_runs.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod global_types.mod input_keyword_types.mod cp_parser_types.mod cp_para_types.mod farming_types.mod tamc_run.mod kinds.mod negf_methods.mod message_passing.mod pw_cuda.mod string_utilities.mod tmc_setup.mod vibrational_analysis.mod cuda_profiling.mod reference_manager.mod force_env_methods.mod qs_tddfpt_module.mod ipi_driver.mod bibliography.mod pw_fpga.mod cp_files.mod input_parsing.mod library_tests.mod cp_output_handling.mod input_cp2k_read.mod mscfg_methods.mod base_hooks.mod input_cp2k_check.mod optimize_input.mod machine.mod neb_methods.mod grid_api.mod cp_para_env.mod mc_run.mod input_cp2k_global.mod f77_interface.mod cp_log_handling.mod rt_propagation.mod input_cp2k.mod input_constants.mod md_run.mod qs_linres_module.mod cp2k_debug.mod cp_parser_methods.mod swarm.mod cp_dbcsr_cp2k_link.mod cp2k_info.mod atom.mod cp_units.mod environment.mod farming_methods.mod optimize_basis.mod pint_methods.mod bsse.mod geo_opt.mod cell_opt.mod sirius_interface.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp2k_runs.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp2k_runs.mod' due to: cp2k_runs.o /build/reproducible-path/cp2k-8.1/src/start/cp2k_runs.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod farming_types.mod input_keyword_types.mod cp_control_types.mod cp_parser_types.mod global_types.mod force_env_types.mod qs_environment_types.mod atom.mod md_run.mod cp_log_handling.mod force_env_methods.mod environment.mod grid_api.mod vibrational_analysis.mod input_parsing.mod message_passing.mod cell_opt.mod cp_units.mod neb_methods.mod optimize_input.mod cp2k_info.mod input_cp2k_read.mod input_cp2k_global.mod bsse.mod geo_opt.mod cp_dbcsr_cp2k_link.mod cp_parser_methods.mod bibliography.mod farming_methods.mod cp_output_handling.mod machine.mod qs_linres_module.mod cp_para_env.mod tmc_setup.mod pw_fpga.mod cuda_profiling.mod kinds.mod ipi_driver.mod base_hooks.mod swarm.mod qs_tddfpt_module.mod pw_cuda.mod rt_propagation.mod f77_interface.mod cp2k_debug.mod library_tests.mod mscfg_methods.mod optimize_basis.mod reference_manager.mod cp_files.mod tamc_run.mod mc_run.mod string_utilities.mod pint_methods.mod input_constants.mod negf_methods.mod sirius_interface.mod input_cp2k_check.mod input_cp2k.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp2k_shell.o' due to: /build/reproducible-path/cp2k-8.1/src/start/cp2k_shell.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod kinds.mod cp_files.mod message_passing.mod string_utilities.mod cp2k_info.mod f77_interface.mod cp_log_handling.mod input_cp2k_read.mod base_hooks.mod input_constants.mod cp2k_runs.mod machine.mod physcon.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp2k_shell.o' due to: /build/reproducible-path/cp2k-8.1/src/start/cp2k_shell.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_files.mod kinds.mod string_utilities.mod cp_log_handling.mod cp2k_info.mod input_constants.mod input_cp2k_read.mod base_hooks.mod message_passing.mod f77_interface.mod physcon.mod machine.mod cp2k_runs.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/start/cp2k_shell.F cp2k_shell.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:22 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp2k_shell.F90 -/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp2k_shell.mod' due to: cp2k_shell.o /build/reproducible-path/cp2k-8.1/src/start/cp2k_shell.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod kinds.mod cp_files.mod message_passing.mod string_utilities.mod cp2k_info.mod f77_interface.mod cp_log_handling.mod input_cp2k_read.mod base_hooks.mod input_constants.mod cp2k_runs.mod machine.mod physcon.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp2k_shell.F90 +/build/reproducible-path/cp2k-8.1/Makefile:541: update target 'cp2k_shell.mod' due to: cp2k_shell.o /build/reproducible-path/cp2k-8.1/src/start/cp2k_shell.F /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod cp_files.mod kinds.mod string_utilities.mod cp_log_handling.mod cp2k_info.mod input_constants.mod input_cp2k_read.mod base_hooks.mod message_passing.mod f77_interface.mod physcon.mod machine.mod cp2k_runs.mod true -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp2k.o' due to: /build/reproducible-path/cp2k-8.1/src/start/cp2k.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod cp2k_shell.mod cp2k_info.mod f77_interface.mod base_hooks.mod input_cp2k.mod input_constants.mod cp2k_runs.mod machine.mod +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'cp2k.o' due to: /build/reproducible-path/cp2k-8.1/src/start/cp2k.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp2k_shell.mod kinds.mod cp2k_info.mod base_hooks.mod input_constants.mod f77_interface.mod machine.mod cp2k_runs.mod input_cp2k.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/start/cp2k.F cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:25 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' cp2k.F90 -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'libcp2k.o' due to: /build/reproducible-path/cp2k-8.1/src/start/libcp2k.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_mo_types.mod qs_active_space_types.mod cp_fm_types.mod qs_environment_types.mod force_env_types.mod kinds.mod cp2k_info.mod f77_interface.mod input_cp2k_read.mod base_hooks.mod input_cp2k.mod cp2k_runs.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp2k.F90 +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'libcp2k.o' due to: /build/reproducible-path/cp2k-8.1/src/start/libcp2k.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod qs_mo_types.mod force_env_types.mod qs_active_space_types.mod qs_environment_types.mod kinds.mod cp2k_info.mod input_cp2k_read.mod base_hooks.mod f77_interface.mod cp2k_runs.mod input_cp2k.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/start/libcp2k.F libcp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:26 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' libcp2k.F90 -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kstart.a' due to: cp2k_runs.o input_cp2k_motion.o cp2k_shell.o libcp2k.o input_cp2k.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kstart.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kstart.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kstart.a cp2k_runs.o input_cp2k_motion.o cp2k_shell.o libcp2k.o input_cp2k.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kstart.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmc.a' due to: tamc_run.o mc_misc.o mc_move_control.o mc_moves.o mc_types.o mc_run.o mc_environment_types.o mc_ensembles.o mc_coordinates.o mc_control.o mc_ge_moves.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmc.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmc.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmc.a tamc_run.o mc_misc.o mc_move_control.o mc_moves.o mc_types.o mc_run.o mc_environment_types.o mc_ensembles.o mc_coordinates.o mc_control.o mc_ge_moves.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmc.a -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kswarm.a' due to: glbopt_mincrawl.o glbopt_minhop.o swarm_input.o swarm_message.o swarm_mpi.o glbopt_worker.o swarm.o swarm_worker.o glbopt_input.o glbopt_master.o glbopt_history.o swarm_master.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kswarm.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kswarm.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kswarm.a glbopt_mincrawl.o glbopt_minhop.o swarm_input.o swarm_message.o swarm_mpi.o glbopt_worker.o swarm.o swarm_worker.o glbopt_input.o glbopt_master.o glbopt_history.o swarm_master.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kswarm.a -/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:51:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/reproducible-path/cp2k-8.1/src/start/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' libcp2k.F90 +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a' due to: libcp2k.o input_cp2k_motion.o cp2k_runs.o input_cp2k.o cp2k_shell.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a libcp2k.o input_cp2k_motion.o cp2k_runs.o input_cp2k.o cp2k_shell.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a' due to: mc_moves.o mc_environment_types.o mc_move_control.o mc_types.o tamc_run.o mc_coordinates.o mc_misc.o mc_ensembles.o mc_control.o mc_ge_moves.o mc_run.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a mc_moves.o mc_environment_types.o mc_move_control.o mc_types.o tamc_run.o mc_coordinates.o mc_misc.o mc_ensembles.o mc_control.o mc_ge_moves.o mc_run.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a' due to: swarm_master.o swarm_message.o glbopt_mincrawl.o glbopt_minhop.o swarm_mpi.o glbopt_history.o glbopt_worker.o glbopt_master.o swarm.o glbopt_input.o swarm_input.o swarm_worker.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a swarm_master.o swarm_message.o glbopt_mincrawl.o glbopt_minhop.o swarm_mpi.o glbopt_history.o glbopt_worker.o glbopt_master.o swarm.o glbopt_input.o swarm_input.o swarm_worker.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a +/build/reproducible-path/cp2k-8.1/Makefile:504: update target 'tmc_utils.o' due to: /build/reproducible-path/cp2k-8.1/src/tmc/tmc_utils.F /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-8.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-8.1/src/tmc/tmc_utils.F tmc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr' tmc_utils.F90 -/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ktmc.a' due to: tmc_analysis_types.o tmc_tree_build.o tmc_tree_types.o tmc_file_io.o tmc_messages.o tmc_stati.o tmc_calculations.o input_cp2k_tmc.o tmc_types.o tmc_analysis.o tmc_worker.o tmc_move_types.o tmc_setup.o tmc_master.o tmc_cancelation.o tmc_tree_acceptance.o tmc_dot_tree.o tmc_moves.o tmc_utils.o tmc_tree_search.o tmc_tree_references.o tmc_move_handle.o -echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ktmc.a" -Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ktmc.a -ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ktmc.a tmc_analysis_types.o tmc_tree_build.o tmc_tree_types.o tmc_file_io.o tmc_messages.o tmc_stati.o tmc_calculations.o input_cp2k_tmc.o tmc_types.o tmc_analysis.o tmc_worker.o tmc_move_types.o tmc_setup.o tmc_master.o tmc_cancelation.o tmc_tree_acceptance.o tmc_dot_tree.o tmc_moves.o tmc_utils.o tmc_tree_search.o tmc_tree_references.o tmc_move_handle.o -ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ktmc.a -/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/all.dep:131: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/cp2k.psmp' due to: cp2k.o /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kstart.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmc.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kswarm.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ktmc.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:31 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/cp2k.psmp cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'libcp2k_unittest.o' due to: /build/reproducible-path/cp2k-8.1/src/start/libcp2k_unittest.c /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/src/start/libcp2k.h +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:52:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/reproducible-path/cp2k-8.1/src/tmc/' -I'/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_utils.F90 +/build/reproducible-path/cp2k-8.1/Makefile:519: update target '/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a' due to: tmc_analysis_types.o tmc_messages.o tmc_utils.o tmc_types.o tmc_tree_acceptance.o tmc_stati.o tmc_cancelation.o tmc_tree_references.o tmc_move_handle.o tmc_worker.o tmc_analysis.o tmc_master.o tmc_tree_types.o tmc_calculations.o tmc_tree_search.o tmc_file_io.o input_cp2k_tmc.o tmc_moves.o tmc_move_types.o tmc_tree_build.o tmc_setup.o tmc_dot_tree.o +echo "Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a" +Updating archive /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a +ar -r /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a tmc_analysis_types.o tmc_messages.o tmc_utils.o tmc_types.o tmc_tree_acceptance.o tmc_stati.o tmc_cancelation.o tmc_tree_references.o tmc_move_handle.o tmc_worker.o tmc_analysis.o tmc_master.o tmc_tree_types.o tmc_calculations.o tmc_tree_search.o tmc_file_io.o input_cp2k_tmc.o tmc_moves.o tmc_move_types.o tmc_tree_build.o tmc_setup.o tmc_dot_tree.o +ar: creating /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a +/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:139: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k.psmp' due to: cp2k.o /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:52:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k.psmp cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-8.1/Makefile:508: update target 'libcp2k_unittest.o' due to: /build/reproducible-path/cp2k-8.1/src/start/libcp2k_unittest.c /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-8.1/src/start/libcp2k.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-8.1/src/start/libcp2k_unittest.c -/build/reproducible-path/cp2k-8.1/obj/Linux-i686-gfortran/psmp/all.dep:151: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/libcp2k_unittest.psmp' due to: libcp2k_unittest.o /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kstart.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmc.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kswarm.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ktmc.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-i686-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 12 11:53:36 -12 2024\"" -D__COMPILE_HOST="\"ionos12-i386\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/libcp2k_unittest.psmp libcp2k_unittest.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-i686-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-8.1/Makefile:237: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/cp2k_shell.psmp' due to: /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/cp2k.psmp -cd /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran; ln -sf cp2k.psmp cp2k_shell.psmp -/build/reproducible-path/cp2k-8.1/Makefile:234: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/cp2k.popt' due to: /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran/cp2k.psmp -cd /build/reproducible-path/cp2k-8.1/exe/Linux-i686-gfortran; ln -sf cp2k.psmp cp2k.popt +/build/reproducible-path/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:143: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/libcp2k_unittest.psmp' due to: libcp2k_unittest.o /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__FFTW3_UNALIGNED -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri Feb 14 21:52:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/libcp2k_unittest.psmp libcp2k_unittest.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-8.1/Makefile:237: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k_shell.psmp' due to: /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k.psmp +cd /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran; ln -sf cp2k.psmp cp2k_shell.psmp +/build/reproducible-path/cp2k-8.1/Makefile:234: update target '/build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k.popt' due to: /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k.psmp +cd /build/reproducible-path/cp2k-8.1/exe/Linux-x86_64-gfortran; ln -sf cp2k.psmp cp2k.popt make[2]: Leaving directory '/build/reproducible-path/cp2k-8.1' cd tools/manual && \ /build/reproducible-path/cp2k-8.1/exe/*/cp2k.psmp --xml && \ @@ -49010,23 +49045,23 @@ -restrictdir QS/regtest-ri-rpa ) ./do_regtest: line 620: ps: command not found *************************** testing started ****************************** - started on Fri Jan 12 11:53:54 -12 2024 - configuration: Linux-i686-gfortran-psmp - regtesting location summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/summary.txt - regtesting location error_summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/error_summary - regtesting location memory_summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/memory_summary - regtesting location output dir: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54 - regtesting location last dir: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//LAST-Linux-i686-gfortran-psmp + started on Fri Feb 14 21:52:13 +14 2025 + configuration: Linux-x86_64-gfortran-psmp + regtesting location summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/summary.txt + regtesting location error_summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/error_summary + regtesting location memory_summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/memory_summary + regtesting location output dir: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13 + regtesting location last dir: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-psmp ---------------------------- Settings ------------------------------------ maxtasks = 2 numprocs = 1 OMP_NUM_THREADS = 2 cp2k_run_prefix = cp2k_run_postfix = -cp2k_prefix = /build/reproducible-path/cp2k-8.1/tools/regtesting/../..///exe/Linux-i686-gfortran/cp2k.psmp +cp2k_prefix = /build/reproducible-path/cp2k-8.1/tools/regtesting/../..///exe/Linux-x86_64-gfortran/cp2k.psmp cp2k_postfix = cp2k_version = psmp -dir_triplet = Linux-i686-gfortran +dir_triplet = Linux-x86_64-gfortran job_max_time = 400 leakcheck = NO doretest = no @@ -49094,15 +49129,15 @@ DATA max data size unlimited unlimited bytes FSIZE max file size unlimited unlimited bytes LOCKS max number of file locks held unlimited unlimited locks -MEMLOCK max locked-in-memory address space 1050693632 1050693632 bytes +MEMLOCK max locked-in-memory address space 1036337152 1036337152 bytes MSGQUEUE max bytes in POSIX mqueues 819200 819200 bytes NICE max nice prio allowed to raise 0 0 NOFILE max number of open files 1024 1048576 files -NPROC max number of processes 63934 63934 processes +NPROC max number of processes 31476 31476 processes RSS max resident set size unlimited unlimited bytes RTPRIO max real-time priority 0 0 RTTIME timeout for real-time tasks unlimited unlimited microsecs -SIGPENDING max number of pending signals 63934 63934 signals +SIGPENDING max number of pending signals 31476 31476 signals STACK max stack size 8388608 unlimited bytes --------------------------- SELinux -------------------------------------- No SELinux installation found @@ -49111,38 +49146,38 @@ No build, continue regression testing ------------------------ regtesting cp2k --------------------------------- ------------------------- dynamic libraries linked ----------------------- -ldd /build/reproducible-path/cp2k-8.1/tools/regtesting/../..///exe/Linux-i686-gfortran/cp2k.psmp : - linux-gate.so.1 (0xb7f33000) - liblapack.so.3 => /usr/lib/i386-linux-gnu/liblapack.so.3 (0xb4800000) - libblas.so.3 => /usr/lib/i386-linux-gnu/libblas.so.3 (0xb7ebc000) - libfftw3.so.3 => /usr/lib/i386-linux-gnu/libfftw3.so.3 (0xb4601000) - libfftw3_threads.so.3 => /usr/lib/i386-linux-gnu/libfftw3_threads.so.3 (0xb7eb3000) - libint2.so.2 => /usr/lib/i386-linux-gnu/libint2.so.2 (0xb2800000) - libxcf03.so.5 => /usr/lib/i386-linux-gnu/libxcf03.so.5 (0xb7eaa000) - libsymspg.so.1 => /usr/lib/i386-linux-gnu/libsymspg.so.1 (0xb7e58000) - libmpi_mpifh.so.40 => /usr/lib/i386-linux-gnu/libmpi_mpifh.so.40 (0xb4fa6000) - libscalapack-openmpi.so.2.1 => /usr/lib/i386-linux-gnu/libscalapack-openmpi.so.2.1 (0xb2200000) - libelpa.so.15 => /usr/lib/i386-linux-gnu/libelpa.so.15 (0xb2115000) - libgfortran.so.5 => /usr/lib/i386-linux-gnu/libgfortran.so.5 (0xb1e00000) - libm.so.6 => /lib/i386-linux-gnu/libm.so.6 (0xb1cfc000) - libgomp.so.1 => /usr/lib/i386-linux-gnu/libgomp.so.1 (0xb4f65000) - libgcc_s.so.1 => /lib/i386-linux-gnu/libgcc_s.so.1 (0xb7e37000) - libpthread.so.0 => /lib/i386-linux-gnu/libpthread.so.0 (0xb4f43000) - libc.so.6 => /lib/i386-linux-gnu/libc.so.6 (0xb1b14000) - libstdc++.so.6 => /usr/lib/i386-linux-gnu/libstdc++.so.6 (0xb1949000) - libxc.so.5 => /usr/lib/i386-linux-gnu/libxc.so.5 (0xb1400000) - libmpi.so.40 => /usr/lib/i386-linux-gnu/libmpi.so.40 (0xb12d0000) - libopen-pal.so.40 => /usr/lib/i386-linux-gnu/libopen-pal.so.40 (0xb121a000) - libquadmath.so.0 => /usr/lib/i386-linux-gnu/libquadmath.so.0 (0xb116f000) - /lib/ld-linux.so.2 (0xb7f35000) - libdl.so.2 => /lib/i386-linux-gnu/libdl.so.2 (0xb4f3b000) - libopen-rte.so.40 => /usr/lib/i386-linux-gnu/libopen-rte.so.40 (0xb109e000) - libhwloc.so.15 => /usr/lib/i386-linux-gnu/libhwloc.so.15 (0xb4ed3000) - libutil.so.1 => /lib/i386-linux-gnu/libutil.so.1 (0xb4ece000) - libevent_core-2.1.so.7 => /usr/lib/i386-linux-gnu/libevent_core-2.1.so.7 (0xb45c1000) - libevent_pthreads-2.1.so.7 => /usr/lib/i386-linux-gnu/libevent_pthreads-2.1.so.7 (0xb4ec9000) - libz.so.1 => /lib/i386-linux-gnu/libz.so.1 (0xb20f7000) - libudev.so.1 => /usr/lib/i386-linux-gnu/libudev.so.1 (0xb20cd000) +ldd /build/reproducible-path/cp2k-8.1/tools/regtesting/../..///exe/Linux-x86_64-gfortran/cp2k.psmp : + linux-gate.so.1 (0xf7fb6000) + liblapack.so.3 => /usr/lib/i386-linux-gnu/liblapack.so.3 (0xf4800000) + libblas.so.3 => /usr/lib/i386-linux-gnu/libblas.so.3 (0xf7f3f000) + libfftw3.so.3 => /usr/lib/i386-linux-gnu/libfftw3.so.3 (0xf4601000) + libfftw3_threads.so.3 => /usr/lib/i386-linux-gnu/libfftw3_threads.so.3 (0xf7f36000) + libint2.so.2 => /usr/lib/i386-linux-gnu/libint2.so.2 (0xf2800000) + libxcf03.so.5 => /usr/lib/i386-linux-gnu/libxcf03.so.5 (0xf7f2d000) + libsymspg.so.1 => /usr/lib/i386-linux-gnu/libsymspg.so.1 (0xf7edb000) + libmpi_mpifh.so.40 => /usr/lib/i386-linux-gnu/libmpi_mpifh.so.40 (0xf7e81000) + libscalapack-openmpi.so.2.1 => /usr/lib/i386-linux-gnu/libscalapack-openmpi.so.2.1 (0xf2200000) + libelpa.so.15 => /usr/lib/i386-linux-gnu/libelpa.so.15 (0xf4f15000) + libgfortran.so.5 => /usr/lib/i386-linux-gnu/libgfortran.so.5 (0xf1e00000) + libm.so.6 => /lib/i386-linux-gnu/libm.so.6 (0xf20fc000) + libgomp.so.1 => /usr/lib/i386-linux-gnu/libgomp.so.1 (0xf7e3e000) + libgcc_s.so.1 => /lib/i386-linux-gnu/libgcc_s.so.1 (0xf4ef6000) + libpthread.so.0 => /lib/i386-linux-gnu/libpthread.so.0 (0xf4ed4000) + libc.so.6 => /lib/i386-linux-gnu/libc.so.6 (0xf1c18000) + libstdc++.so.6 => /usr/lib/i386-linux-gnu/libstdc++.so.6 (0xf1a4d000) + libxc.so.5 => /usr/lib/i386-linux-gnu/libxc.so.5 (0xf1400000) + libmpi.so.40 => /usr/lib/i386-linux-gnu/libmpi.so.40 (0xf191d000) + libopen-pal.so.40 => /usr/lib/i386-linux-gnu/libopen-pal.so.40 (0xf134a000) + libquadmath.so.0 => /usr/lib/i386-linux-gnu/libquadmath.so.0 (0xf129f000) + /lib/ld-linux.so.2 (0xf7fb8000) + libdl.so.2 => /lib/i386-linux-gnu/libdl.so.2 (0xf4ece000) + libopen-rte.so.40 => /usr/lib/i386-linux-gnu/libopen-rte.so.40 (0xf11ce000) + libhwloc.so.15 => /usr/lib/i386-linux-gnu/libhwloc.so.15 (0xf1166000) + libutil.so.1 => /lib/i386-linux-gnu/libutil.so.1 (0xf7e37000) + libevent_core-2.1.so.7 => /usr/lib/i386-linux-gnu/libevent_core-2.1.so.7 (0xf45c1000) + libevent_pthreads-2.1.so.7 => /usr/lib/i386-linux-gnu/libevent_pthreads-2.1.so.7 (0xf4ec9000) + libz.so.1 => /lib/i386-linux-gnu/libz.so.1 (0xf20de000) + libudev.so.1 => /usr/lib/i386-linux-gnu/libudev.so.1 (0xf20b4000) -------------------------------------------------------------------------- Copying tests into working directory ... done! CP2K supports: cp2kflags: omp libint fftw3 libxc elpa parallel mpi3 scalapack spglib @@ -49160,7 +49195,7 @@ Skipping TMC/regtest_ana_post_proc : missing required feature : mpiranks>1 Skipping Fist/regtest-quip : missing required feature : quip Skipping Fist/regtest-plumed2 : missing required feature : plumed2 -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-mp2-grad (1 of 45) +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-mp2-grad (1 of 45) Running H2O_grad_mme.inp Running H2O_grad_gpw.inp Running H2_H2_no_freeHFX.inp @@ -49169,17 +49204,17 @@ Running CH_dyn_screen.inp Running MOM_MP2_geoopt.inp Running H2O_MD_mme.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-mp2-grad - H2O_grad_mme.inp -16.766973159451723 OK ( 28.27 sec) - H2O_grad_gpw.inp -16.990049456698820 OK ( 26.05 sec) - H2_H2_no_freeHFX.inp -2.307711033963894 OK ( 13.96 sec) - O2_dyn.inp -31.519148246528882 OK ( 19.81 sec) - O2_dyn_mme.inp 0.50585576 OK ( 28.65 sec) - CH_dyn_screen.inp -5.700371305097853 OK ( 21.05 sec) - MOM_MP2_geoopt.inp -13.969021588741178 OK ( 22.38 sec) - H2O_MD_mme.inp -17.056807611795829 OK ( 40.40 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-mp2-grad (1 of 45) done in 207.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-ri-rpa (2 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-mp2-grad + H2O_grad_mme.inp -16.766973159452686 OK ( 18.17 sec) + H2O_grad_gpw.inp -16.990049456701016 OK ( 12.29 sec) + H2_H2_no_freeHFX.inp -2.307711033963896 OK ( 6.44 sec) + O2_dyn.inp -31.519148246528879 OK ( 9.34 sec) + O2_dyn_mme.inp 0.50585576 OK ( 15.87 sec) + CH_dyn_screen.inp -5.700371305097659 OK ( 11.36 sec) + MOM_MP2_geoopt.inp -13.969021587937767 OK ( 11.87 sec) + H2O_MD_mme.inp -17.056807611795826 OK ( 33.83 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-mp2-grad (1 of 45) done in 123.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-ri-rpa (2 of 45) Running RI_RPA_H2O.inp Running RI_RPA_H2O_overlap_metric.inp Running RI_RPA_CH3.inp @@ -49191,20 +49226,20 @@ Running RI_RPA_H2O_Obara_Saika.inp Running RI_RPA_H2O_svd.inp Running RI_RPA_H2O_overlap_metric_svd.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-ri-rpa - RI_RPA_H2O.inp -17.145691221376669 OK ( 18.19 sec) - RI_RPA_H2O_overlap_metric.inp -17.145538849244709 OK ( 15.45 sec) - RI_RPA_CH3.inp -7.415612315979534 OK ( 23.57 sec) - RI_RPA_H2O_SYRK.inp -17.145691221376669 OK ( 19.41 sec) - RI_RPA_minimax_H_atom.inp -0.510122901484635 OK ( 7.08 sec) - RI_RPA_H2O_minimax.inp -17.145691263471875 OK ( 19.52 sec) - RI_RPA_H2O_PBE0.inp -17.122863632434200 OK ( 19.63 sec) - RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824056183 OK ( 24.20 sec) - RI_RPA_H2O_Obara_Saika.inp -17.160204463746279 OK ( 9.17 sec) - RI_RPA_H2O_svd.inp -17.145632690185479 OK ( 19.24 sec) - RI_RPA_H2O_overlap_metric_svd.inp -17.145498315845639 OK ( 16.02 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-ri-rpa (2 of 45) done in 200.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-tddfpt (3 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-ri-rpa + RI_RPA_H2O.inp -17.145691221376676 OK ( 12.44 sec) + RI_RPA_H2O_overlap_metric.inp -17.145538849244712 OK ( 9.77 sec) + RI_RPA_CH3.inp -7.415612315979533 OK ( 14.52 sec) + RI_RPA_H2O_SYRK.inp -17.145691221376676 OK ( 12.43 sec) + RI_RPA_minimax_H_atom.inp -0.510122901484635 OK ( 3.19 sec) + RI_RPA_H2O_minimax.inp -17.145691263471875 OK ( 12.40 sec) + RI_RPA_H2O_PBE0.inp -17.122863632434193 OK ( 13.05 sec) + RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824056165 OK ( 14.33 sec) + RI_RPA_H2O_Obara_Saika.inp -17.160204463746350 OK ( 4.88 sec) + RI_RPA_H2O_svd.inp -17.145632690185483 OK ( 12.34 sec) + RI_RPA_H2O_overlap_metric_svd.inp -17.145498315845636 OK ( 9.53 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-ri-rpa (2 of 45) done in 124.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-tddfpt (3 of 45) Running H2O_tddfpt-s-1.inp Running H2O_tddfpt-t-1.inp Running NO_tddfpt-s-1.inp @@ -49217,21 +49252,21 @@ Running NO_tddfpt-s-3.inp Running NO_tddfpt-t-3.inp Running H2O_tddfpt_NTO.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-tddfpt - H2O_tddfpt-s-1.inp 0.602948E+00 OK ( 1.67 sec) - H2O_tddfpt-t-1.inp 0.304878E+00 OK ( 1.66 sec) - NO_tddfpt-s-1.inp 0.348494E+00 OK ( 8.21 sec) - NO_tddfpt-t-1.inp 0.359779E+00 OK ( 8.16 sec) - H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 1.71 sec) - H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 2.01 sec) - NO_tddfpt-t-2.inp 0.358683E+00 OK ( 8.57 sec) - H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 1.56 sec) - H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 1.77 sec) - NO_tddfpt-s-3.inp 0.350929E+00 OK ( 5.28 sec) - NO_tddfpt-t-3.inp 0.358683E+00 OK ( 8.72 sec) - H2O_tddfpt_NTO.inp 0.551476E+00 OK ( 3.65 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-tddfpt (3 of 45) done in 63.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-libxc (4 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-tddfpt + H2O_tddfpt-s-1.inp 0.602948E+00 OK ( 0.86 sec) + H2O_tddfpt-t-1.inp 0.304878E+00 OK ( 0.66 sec) + NO_tddfpt-s-1.inp 0.348494E+00 OK ( 3.85 sec) + NO_tddfpt-t-1.inp 0.359779E+00 OK ( 3.67 sec) + H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 0.80 sec) + H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 0.95 sec) + NO_tddfpt-t-2.inp 0.358683E+00 OK ( 4.03 sec) + H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 0.81 sec) + H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 0.93 sec) + NO_tddfpt-s-3.inp 0.350929E+00 OK ( 2.46 sec) + NO_tddfpt-t-3.inp 0.358683E+00 OK ( 4.14 sec) + H2O_tddfpt_NTO.inp 0.551476E+00 OK ( 1.80 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-tddfpt (3 of 45) done in 31.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-libxc (4 of 45) Running H2O-hybrid-b3lyp_libxc_uks.inp Running H2O_pbe_libxc_tddfpt-s.inp Running H2O_lda_libxc_tddfpt-s.inp @@ -49243,20 +49278,20 @@ Running diamond_br89_libxc_uks.inp Running diamond_br89_libxc.inp Running H2O-tpss_lsd.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-libxc - H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581189 OK ( 6.73 sec) - H2O_pbe_libxc_tddfpt-s.inp -17.23116251470389 OK ( 6.90 sec) - H2O_lda_libxc_tddfpt-s.inp -17.13289833455443 OK ( 7.55 sec) - H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474702 OK ( 15.20 sec) - H2O-hybrid-b3lyp_libxc.inp -76.41035426581189 OK ( 5.79 sec) - H2O-hybrid-tpssh_libxc.inp -76.40918264715273 OK ( 6.67 sec) - H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455833 OK ( 12.31 sec) - H2O-tpssx_libxc.inp -33.88300963208583 OK ( 4.41 sec) - diamond_br89_libxc_uks.inp -11.06581614908321 OK ( 78.06 sec) - diamond_br89_libxc.inp -11.06581614908321 OK ( 39.35 sec) - H2O-tpss_lsd.inp -34.34060245665757 OK ( 11.44 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-libxc (4 of 45) done in 204.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hfx-periodic (5 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-libxc + H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581189 OK ( 3.14 sec) + H2O_pbe_libxc_tddfpt-s.inp -17.23116251470389 OK ( 3.25 sec) + H2O_lda_libxc_tddfpt-s.inp -17.13289833455444 OK ( 2.97 sec) + H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474701 OK ( 6.50 sec) + H2O-hybrid-b3lyp_libxc.inp -76.41035426581189 OK ( 2.46 sec) + H2O-hybrid-tpssh_libxc.inp -76.40918264715273 OK ( 3.17 sec) + H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455833 OK ( 6.05 sec) + H2O-tpssx_libxc.inp -33.88300963208583 OK ( 1.98 sec) + diamond_br89_libxc_uks.inp -11.06581614908321 OK ( 40.22 sec) + diamond_br89_libxc.inp -11.06581614908321 OK ( 20.17 sec) + H2O-tpss_lsd.inp -34.34060245665757 OK ( 5.30 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-libxc (4 of 45) done in 101.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hfx-periodic (5 of 45) Running H2O-trunc-2.inp Running H2O-trunc-auto.inp Running H2O-coul-0.inp @@ -49268,20 +49303,20 @@ Running h2o-respa.inp Running h2o-respa_restart.inp Running H2O-id-auto.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hfx-periodic - H2O-trunc-2.inp -75.99943504501135 OK ( 7.82 sec) - H2O-trunc-auto.inp -75.99943504501134 OK ( 7.21 sec) - H2O-coul-0.inp -76.02314790926987 OK ( 3.84 sec) - H2O-trunc-auto-md.inp -0.752385976533E+02 OK ( 11.98 sec) - CH3-trunc-auto.inp -39.13005530578390 OK ( 8.38 sec) - CH3-trunc-1.inp -39.36116309763945 OK ( 10.70 sec) - CH3-trunc-auto-md.inp -0.387264301976E+02 OK ( 17.48 sec) - CH3-coul-0.inp -39.39910229689161 OK ( 6.84 sec) - h2o-respa.inp -76.02310918726192 OK ( 35.85 sec) - h2o-respa_restart.inp -76.02267217092368 OK ( 28.45 sec) - H2O-id-auto.inp -88.00800458675111 OK ( 3.83 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hfx-periodic (5 of 45) done in 151.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-polar (6 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hfx-periodic + H2O-trunc-2.inp -75.99943504501134 OK ( 3.42 sec) + H2O-trunc-auto.inp -75.99943504501135 OK ( 3.47 sec) + H2O-coul-0.inp -76.02314790926988 OK ( 1.50 sec) + H2O-trunc-auto-md.inp -0.752385976533E+02 OK ( 6.46 sec) + CH3-trunc-auto.inp -39.13005530578389 OK ( 4.39 sec) + CH3-trunc-1.inp -39.36116309763946 OK ( 4.94 sec) + CH3-trunc-auto-md.inp -0.387264301976E+02 OK ( 9.62 sec) + CH3-coul-0.inp -39.39910229689161 OK ( 2.99 sec) + h2o-respa.inp -76.02310918726194 OK ( 18.23 sec) + h2o-respa_restart.inp -76.02267217092371 OK ( 13.41 sec) + H2O-id-auto.inp -88.00800458675111 OK ( 1.52 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hfx-periodic (5 of 45) done in 75.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-polar (6 of 45) Running h2o_LRraman.inp Running h2o_LRraman_loc.inp Running h2o_LRraman_noort.inp @@ -49289,21 +49324,21 @@ Running xTB_LRraman.inp Running xTB_LRraman_loc.inp Running h2o_LRraman_LRI.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-polar - h2o_LRraman.inp 0.006125121412 OK ( 0.82 sec) - h2o_LRraman_loc.inp 0.009153812508 OK ( 18.10 sec) - h2o_LRraman_noort.inp 0.023303680948 OK ( 10.49 sec) - H2O_md_polar.inp 0.635317998131 OK ( 42.26 sec) - xTB_LRraman.inp 0.804852847403 OK ( 1.09 sec) - xTB_LRraman_loc.inp 0.804852847403 OK ( 1.11 sec) - h2o_LRraman_LRI.inp 0.004262639491 OK ( 5.32 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-polar (6 of 45) done in 86.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-sccs-2 (7 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-polar + h2o_LRraman.inp 0.006125121412 OK ( 0.39 sec) + h2o_LRraman_loc.inp 0.009153812508 OK ( 10.01 sec) + h2o_LRraman_noort.inp 0.023303680948 OK ( 5.27 sec) + H2O_md_polar.inp 0.635317998131 OK ( 19.82 sec) + xTB_LRraman.inp 0.804852847403 OK ( 0.63 sec) + xTB_LRraman_loc.inp 0.804852847403 OK ( 0.63 sec) + h2o_LRraman_LRI.inp 0.004262639593 OK ( 3.38 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-polar (6 of 45) done in 44.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-sccs-2 (7 of 45) Running H2O_sccs_otdiis_cd5.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-sccs-2 - H2O_sccs_otdiis_cd5.inp -17.22654049703060 OK ( 23.54 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-sccs-2 (7 of 45) done in 25.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/MC/regtest (8 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-sccs-2 + H2O_sccs_otdiis_cd5.inp -17.22654049703059 OK ( 11.13 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-sccs-2 (7 of 45) done in 13.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/MC/regtest (8 of 45) Running MC_QS.inp Running MC_QS_restart.inp Running GEMC_NpT_box1.inp @@ -49314,26 +49349,26 @@ Running virial.inp Running hmc.inp Running MC_QS_cluster.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/MC/regtest - MC_QS.inp -51.34794469 OK ( 3.56 sec) - MC_QS_restart.inp -51.34909000 OK ( 4.55 sec) - GEMC_NpT_box1.inp 0.49826574 OK ( 3.35 sec) - GEMC_NVT_box1.inp 0.49803069 OK ( 3.21 sec) - GEMC_swap_box1.inp 0.55872200 OK ( 5.44 sec) - canonical.inp 0.55333815 OK ( 0.26 sec) - canonical_bias.inp 0.38566238 OK ( 0.85 sec) - virial.inp -.723498E+03 OK ( 0.81 sec) - hmc.inp -2.49775342 OK ( 34.84 sec) - MC_QS_cluster.inp -123.50714373282231 OK ( 50.84 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/MC/regtest (8 of 45) done in 116.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-ps-implicit-2-3 (9 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/MC/regtest + MC_QS.inp -51.34794469 OK ( 1.81 sec) + MC_QS_restart.inp -51.34909000 OK ( 2.21 sec) + GEMC_NpT_box1.inp 0.49826574 OK ( 1.36 sec) + GEMC_NVT_box1.inp 0.49803069 OK ( 1.28 sec) + GEMC_swap_box1.inp 0.55872200 OK ( 2.21 sec) + canonical.inp 0.55333815 OK ( 0.12 sec) + canonical_bias.inp 0.38566238 OK ( 0.44 sec) + virial.inp -.723498E+03 OK ( 0.48 sec) + hmc.inp -2.49775342 OK ( 14.95 sec) + MC_QS_cluster.inp -123.50714373282226 OK ( 34.68 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/MC/regtest (8 of 45) done in 64.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-ps-implicit-2-3 (9 of 45) Running H2O_mixed_periodic_cuboidal.inp Running H2O_mixed_periodic_cylindrical.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-ps-implicit-2-3 - H2O_mixed_periodic_cuboidal.inp -17.23631232134630 OK ( 51.16 sec) - H2O_mixed_periodic_cylindrical.inp -17.32193400042037 OK ( 27.82 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-ps-implicit-2-3 (9 of 45) done in 82.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/ATOM/regtest-2 (10 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-ps-implicit-2-3 + H2O_mixed_periodic_cuboidal.inp -17.23631232134632 OK ( 27.09 sec) + H2O_mixed_periodic_cylindrical.inp -17.32193400042027 OK ( 13.08 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-ps-implicit-2-3 (9 of 45) done in 42.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/ATOM/regtest-2 (10 of 45) Running H.inp Running He_1.inp Running He_2.inp @@ -49373,48 +49408,48 @@ Running C.inp Running C_ADMM.inp Running C_tpss.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/ATOM/regtest-2 - H.inp -0.499999999830 OK ( 0.32 sec) - He_1.inp -1.399307796698 OK ( 0.05 sec) - He_2.inp -1.336212351224 OK ( 0.05 sec) - He_3.inp -1.416270865184 OK ( 0.05 sec) - He_5.inp -1.408879880907 OK ( 0.05 sec) - F_1.inp -24.171954774816 OK ( 0.16 sec) - F_2.inp -24.171954774816 OK ( 0.16 sec) - F_3.inp -24.171954774816 OK ( 0.17 sec) - F_4.inp -23.517790822115 OK ( 0.12 sec) - F_5.inp -23.437623684262 OK ( 0.10 sec) - U.inp -25598.253318868719 OK ( 5.39 sec) - Ru.inp -15.9518066199 OK ( 3.30 sec) - Ru_basis.inp -15.951806619855 OK ( 0.08 sec) - Ru_conf.inp -15.9897774741 OK ( 6.02 sec) - atom_1.inp -0.462506882641 OK ( 0.08 sec) - atom_2.inp -0.356859139125 OK ( 0.08 sec) - atom_3.inp -0.462506882641 OK ( 0.08 sec) - atom_4.inp -0.146531730136 OK ( 0.10 sec) - atom_5.inp -0.462506882641 OK ( 0.07 sec) - atom_c1.inp -0.460470116001 OK ( 0.05 sec) - atom_c2.inp -0.348633649362 OK ( 0.06 sec) - atom_c3.inp -0.460470116001 OK ( 0.04 sec) - atom_c4.inp -0.038182392054 OK ( 0.05 sec) - atom_c5.inp -0.460470116001 OK ( 0.05 sec) - slater_0.inp -2.847630187388 OK ( 0.02 sec) - slater_1.inp -526.292493965898 OK ( 0.02 sec) - slater_2.inp -24.243036046113 OK ( 0.37 sec) - slater_3.inp -2.838751324071 OK ( 0.02 sec) - slater_4.inp 8.063992740899 OK ( 0.06 sec) - slater_5.inp 109583.1142107928 OK ( 0.08 sec) - slater_6.inp 3762956.0632390548 OK ( 0.22 sec) - slater_7.inp -2.8616551247 OK ( 0.92 sec) - slater_8.inp -0.1875976021 OK ( 0.08 sec) - slater_9.inp -525.7615443522 OK ( 0.30 sec) - slater_10.inp -2.841058209720 OK ( 0.02 sec) - Hg.inp -19601.624766751112 OK ( 3.06 sec) - C.inp -37.799871796427 OK ( 0.26 sec) - C_ADMM.inp -37.758721798836 OK ( 0.30 sec) - C_tpss.inp -37.801438870459 OK ( 0.36 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/ATOM/regtest-2 (10 of 45) done in 52.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/LIBTEST (11 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/ATOM/regtest-2 + H.inp -0.499999999830 OK ( 0.18 sec) + He_1.inp -1.399307796698 OK ( 0.02 sec) + He_2.inp -1.336212351224 OK ( 0.02 sec) + He_3.inp -1.416270865184 OK ( 0.02 sec) + He_5.inp -1.408879880907 OK ( 0.02 sec) + F_1.inp -24.171954774816 OK ( 0.06 sec) + F_2.inp -24.171954774816 OK ( 0.07 sec) + F_3.inp -24.171954774816 OK ( 0.07 sec) + F_4.inp -23.517790822115 OK ( 0.05 sec) + F_5.inp -23.437623684262 OK ( 0.04 sec) + U.inp -25598.253318868748 OK ( 3.41 sec) + Ru.inp -15.9518066199 OK ( 2.03 sec) + Ru_basis.inp -15.951806619855 OK ( 0.05 sec) + Ru_conf.inp -15.9897774741 OK ( 2.72 sec) + atom_1.inp -0.462506882641 OK ( 0.05 sec) + atom_2.inp -0.356859139125 OK ( 0.05 sec) + atom_3.inp -0.462506882641 OK ( 0.05 sec) + atom_4.inp -0.146531730136 OK ( 0.05 sec) + atom_5.inp -0.462506882641 OK ( 0.05 sec) + atom_c1.inp -0.460470116001 OK ( 0.03 sec) + atom_c2.inp -0.348633649362 OK ( 0.03 sec) + atom_c3.inp -0.460470116001 OK ( 0.03 sec) + atom_c4.inp -0.038182392054 OK ( 0.03 sec) + atom_c5.inp -0.460470116001 OK ( 0.03 sec) + slater_0.inp -2.847630187388 OK ( 0.01 sec) + slater_1.inp -526.292493965898 OK ( 0.01 sec) + slater_2.inp -24.243036046113 OK ( 0.17 sec) + slater_3.inp -2.838751324071 OK ( 0.01 sec) + slater_4.inp 8.063992740899 OK ( 0.03 sec) + slater_5.inp 109583.1142107928 OK ( 0.03 sec) + slater_6.inp 3762956.0618584477 OK ( 0.12 sec) + slater_7.inp -2.8616551247 OK ( 0.45 sec) + slater_8.inp -0.1875976021 OK ( 0.04 sec) + slater_9.inp -525.7615443522 OK ( 0.15 sec) + slater_10.inp -2.841058209720 OK ( 0.01 sec) + Hg.inp -19601.624766751152 OK ( 1.86 sec) + C.inp -37.799871796427 OK ( 0.18 sec) + C_ADMM.inp -37.758721798836 OK ( 0.13 sec) + C_tpss.inp -37.801438870459 OK ( 0.25 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/ATOM/regtest-2 (10 of 45) done in 28.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/LIBTEST (11 of 45) Running test_01.inp Running test_02.inp Running test_pw.inp @@ -49451,56 +49486,56 @@ Running grid_validate_ortho.inp Running grid_ref_backend_nonortho.inp Running grid_validate_nonortho.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/LIBTEST - test_01.inp - OK ( 9.11 sec) - test_02.inp - OK ( 1.82 sec) - test_pw.inp - OK ( 0.34 sec) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/LIBTEST + test_01.inp - OK ( 4.39 sec) + test_02.inp - OK ( 1.01 sec) + test_pw.inp - OK ( 0.19 sec) test_pw_02.inp - OK ( 0.01 sec) test_pw_03.inp - OK ( 0.01 sec) - test_pw_04.inp - OK ( 15.26 sec) - test_pw_05.inp - OK ( 0.02 sec) - test_cp_fm_gemm_01.inp - OK ( 1.55 sec) - test_cp_fm_gemm_02.inp - OK ( 1.45 sec) - eig.inp - OK ( 0.03 sec) - dbcsr_mm_blas.inp - OK ( 0.10 sec) - dbcsr_multistack.inp - OK ( 0.35 sec) - dbcsr_types.inp - OK ( 0.38 sec) - dbcsr_blocks_01.inp 20978908949.261906 OK ( 1.44 sec) - dbcsr_blocks_02.inp 21229174127.238155 OK ( 1.35 sec) - dbcsr_blocks_03.inp 21561533688.640675 OK ( 1.29 sec) - dbcsr_blocks_04.inp 21304439095.777740 OK ( 1.06 sec) - dbcsr_blocks_05.inp 21455488291.450737 OK ( 1.28 sec) - dbcsr_types_01.inp 272584373.29241335 OK ( 0.38 sec) - dbcsr_types_02.inp 272584373.29241335 OK ( 0.41 sec) - dbcsr_types_03.inp 272584373.29241335 OK ( 0.42 sec) - dbcsr_types_04.inp 272584373.29241335 OK ( 0.40 sec) - dbcsr_types_05.inp 272584373.29241335 OK ( 0.40 sec) - dbcsr_io_1.inp - OK ( 0.18 sec) - dbcsr_order_N.inp 1910924.8949438264 OK ( 4.98 sec) - test_eri_mme_accuracy.inp - OK ( 2.45 sec) - test_eri_mme_accuracy_longrange.inp - OK ( 2.30 sec) - test_eri_mme_accuracy_yukawa.inp - OK ( 2.46 sec) - test_eri_mme_performance.inp - OK ( 4.57 sec) - test_minimax.inp - OK ( 2.51 sec) - test_shg_integrals_01.inp - OK ( 3.24 sec) - test_shg_integrals_02.inp - OK ( 1.45 sec) - grid_ref_backend_ortho.inp -21.04944231395049 OK ( 1.33 sec) - grid_validate_ortho.inp -21.04944231395049 OK ( 1.47 sec) - grid_ref_backend_nonortho.inp -18.04976254477396 OK ( 1.06 sec) - grid_validate_nonortho.inp -18.04976254477396 OK ( 1.60 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/LIBTEST (11 of 45) done in 95.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hfx-stress (12 of 45) + test_pw_04.inp - OK ( 9.99 sec) + test_pw_05.inp - OK ( 0.01 sec) + test_cp_fm_gemm_01.inp - OK ( 0.81 sec) + test_cp_fm_gemm_02.inp - OK ( 0.67 sec) + eig.inp - OK ( 0.01 sec) + dbcsr_mm_blas.inp - OK ( 0.05 sec) + dbcsr_multistack.inp - OK ( 0.23 sec) + dbcsr_types.inp - OK ( 0.19 sec) + dbcsr_blocks_01.inp 20978908949.261906 OK ( 0.64 sec) + dbcsr_blocks_02.inp 21229174127.238155 OK ( 0.62 sec) + dbcsr_blocks_03.inp 21561533688.640675 OK ( 0.60 sec) + dbcsr_blocks_04.inp 21304439095.777740 OK ( 0.59 sec) + dbcsr_blocks_05.inp 21455488291.450737 OK ( 0.59 sec) + dbcsr_types_01.inp 272584373.29241335 OK ( 0.18 sec) + dbcsr_types_02.inp 272584373.29241335 OK ( 0.19 sec) + dbcsr_types_03.inp 272584373.29241335 OK ( 0.19 sec) + dbcsr_types_04.inp 272584373.29241335 OK ( 0.18 sec) + dbcsr_types_05.inp 272584373.29241335 OK ( 0.17 sec) + dbcsr_io_1.inp - OK ( 0.08 sec) + dbcsr_order_N.inp 1910924.8949438264 OK ( 3.60 sec) + test_eri_mme_accuracy.inp - OK ( 1.34 sec) + test_eri_mme_accuracy_longrange.inp - OK ( 1.54 sec) + test_eri_mme_accuracy_yukawa.inp - OK ( 1.25 sec) + test_eri_mme_performance.inp - OK ( 2.35 sec) + test_minimax.inp - OK ( 2.08 sec) + test_shg_integrals_01.inp - OK ( 1.74 sec) + test_shg_integrals_02.inp - OK ( 0.84 sec) + grid_ref_backend_ortho.inp -21.04944231395049 OK ( 0.59 sec) + grid_validate_ortho.inp -21.04944231395049 OK ( 0.71 sec) + grid_ref_backend_nonortho.inp -18.04976254477396 OK ( 0.42 sec) + grid_validate_nonortho.inp -18.04976254477396 OK ( 0.71 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/LIBTEST (11 of 45) done in 53.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hfx-stress (12 of 45) Running ch3-admm.inp Running ch3.inp Running ch4-admm.inp Running h2o.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hfx-stress - ch3-admm.inp -7.17220679353E+00 OK ( 32.79 sec) - ch3.inp 2.83902802319E+01 OK ( 16.30 sec) - ch4-admm.inp -7.10696960201E+00 OK ( 28.82 sec) - h2o.inp 1.26297506312E+01 OK ( 12.96 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hfx-stress (12 of 45) done in 96.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/DFTB/regtest-nonscc (13 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hfx-stress + ch3-admm.inp -7.17220679422E+00 OK ( 14.15 sec) + ch3.inp 2.83902802319E+01 OK ( 7.39 sec) + ch4-admm.inp -7.10696960066E+00 OK ( 12.40 sec) + h2o.inp 1.26297506312E+01 OK ( 5.88 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hfx-stress (12 of 45) done in 43.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/DFTB/regtest-nonscc (13 of 45) Running ch2o-1.inp Running ch2o-2.inp Running ch2o-3.inp @@ -49524,32 +49559,32 @@ Running co2_3.inp Running si_kp1.inp Running si_kp2.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/DFTB/regtest-nonscc - ch2o-1.inp -5.82072731467941 OK ( 0.39 sec) - ch2o-2.inp -5.82159061359820 OK ( 0.65 sec) - ch2o-3.inp -5.81373413468792 OK ( 0.64 sec) - ch2o-r.inp -5.81373413468792 OK ( 0.56 sec) - h2-1.inp -0.70875565358819 OK ( 0.11 sec) - h2-2.inp -0.70875565358819 OK ( 0.07 sec) - h2-3.inp -0.70875565358819 OK ( 0.13 sec) - h2-4.inp -0.71042952969309 OK ( 0.29 sec) - h2o-32_1.inp -131.08636939004850 OK ( 1.86 sec) - h2o-32_2.inp -131.07999691049991 OK ( 1.66 sec) - h2o-32_3.inp -131.07520911565229 OK ( 1.19 sec) - h2o-32_4.inp -131.07520911519848 OK ( 8.06 sec) - MoS.inp -2.99616182900092 OK ( 0.46 sec) - n2.inp -4.86560729572791 OK ( 1.84 sec) - s2.inp -4.83731808711857 OK ( 0.42 sec) - ch2o_atprop.inp -5.81281420275335 OK ( 0.29 sec) - MoS_atprop.inp -2.99616182900092 OK ( 0.50 sec) - h2o-32_atprop.inp -131.08636939004850 OK ( 1.60 sec) - co2_1.inp -8.55586246566686 OK ( 0.21 sec) - co2_2.inp -8.55586246566686 OK ( 0.24 sec) - co2_3.inp -8.55586246566686 OK ( 0.23 sec) - si_kp1.inp -10.06358203475393 OK ( 2.49 sec) - si_kp2.inp - OK ( 21.75 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/DFTB/regtest-nonscc (13 of 45) done in 66.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hirshfeld (14 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/DFTB/regtest-nonscc + ch2o-1.inp -5.82072731467941 OK ( 0.16 sec) + ch2o-2.inp -5.82159061359820 OK ( 0.20 sec) + ch2o-3.inp -5.81373413468792 OK ( 0.20 sec) + ch2o-r.inp -5.81373413468792 OK ( 0.21 sec) + h2-1.inp -0.70875565358819 OK ( 0.03 sec) + h2-2.inp -0.70875565358819 OK ( 0.03 sec) + h2-3.inp -0.70875565358819 OK ( 0.03 sec) + h2-4.inp -0.71042952969309 OK ( 0.08 sec) + h2o-32_1.inp -131.08636939004850 OK ( 0.73 sec) + h2o-32_2.inp -131.07999691049991 OK ( 0.72 sec) + h2o-32_3.inp -131.07520911565229 OK ( 0.49 sec) + h2o-32_4.inp -131.07520911519848 OK ( 3.72 sec) + MoS.inp -2.99616182900092 OK ( 0.24 sec) + n2.inp -4.86560729572791 OK ( 0.64 sec) + s2.inp -4.83731808711857 OK ( 0.13 sec) + ch2o_atprop.inp -5.81281420275335 OK ( 0.17 sec) + MoS_atprop.inp -2.99616182900092 OK ( 0.25 sec) + h2o-32_atprop.inp -131.08636939004850 OK ( 0.73 sec) + co2_1.inp -8.55586246566686 OK ( 0.10 sec) + co2_2.inp -8.55586246566686 OK ( 0.10 sec) + co2_3.inp -8.55586246566686 OK ( 0.10 sec) + si_kp1.inp -10.06358203475393 OK ( 0.96 sec) + si_kp2.inp - OK ( 7.35 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/DFTB/regtest-nonscc (13 of 45) done in 27.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hirshfeld (14 of 45) Running htest_1.inp Running htest_2.inp Running htest_3.inp @@ -49568,27 +49603,27 @@ Running hlsd_7.inp Running hlsd_8.inp Running hlsd_9.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hirshfeld - htest_1.inp -17.14603641519598 OK ( 1.04 sec) - htest_2.inp -17.14603641519598 OK ( 1.01 sec) - htest_3.inp -17.14603641519598 OK ( 1.11 sec) - htest_4.inp -17.14603641519598 OK ( 0.73 sec) - htest_5.inp -17.14603641519598 OK ( 0.88 sec) - htest_6.inp -17.14603641519598 OK ( 1.35 sec) - htest_7.inp -17.13771713041177 OK ( 1.26 sec) - htest_8.inp -17.13771713041177 OK ( 0.89 sec) - htest_9.inp -17.13771713041177 OK ( 1.98 sec) - hlsd_1.inp -16.81101156813311 OK ( 3.58 sec) - hlsd_2.inp -16.81101156813311 OK ( 4.86 sec) - hlsd_3.inp -16.81101156813311 OK ( 2.10 sec) - hlsd_4.inp -16.81101156813311 OK ( 2.74 sec) - hlsd_5.inp -16.81101156813311 OK ( 3.79 sec) - hlsd_6.inp -16.80070757658132 OK ( 3.25 sec) - hlsd_7.inp -16.80070757658132 OK ( 3.91 sec) - hlsd_8.inp -16.80070757658131 OK ( 6.10 sec) - hlsd_9.inp -16.80070757658131 OK ( 4.71 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hirshfeld (14 of 45) done in 70.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-gpw-2-1 (15 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hirshfeld + htest_1.inp -17.14603641519598 OK ( 0.32 sec) + htest_2.inp -17.14603641519598 OK ( 0.32 sec) + htest_3.inp -17.14603641519598 OK ( 0.40 sec) + htest_4.inp -17.14603641519598 OK ( 0.32 sec) + htest_5.inp -17.14603641519598 OK ( 0.32 sec) + htest_6.inp -17.14603641519598 OK ( 0.59 sec) + htest_7.inp -17.13771713041176 OK ( 0.39 sec) + htest_8.inp -17.13771713041176 OK ( 0.39 sec) + htest_9.inp -17.13771713041176 OK ( 0.68 sec) + hlsd_1.inp -16.81101156813312 OK ( 0.68 sec) + hlsd_2.inp -16.81101156813312 OK ( 1.12 sec) + hlsd_3.inp -16.81101156813312 OK ( 0.69 sec) + hlsd_4.inp -16.81101156813312 OK ( 0.67 sec) + hlsd_5.inp -16.81101156813312 OK ( 0.96 sec) + hlsd_6.inp -16.80070757658132 OK ( 0.78 sec) + hlsd_7.inp -16.80070757658132 OK ( 0.79 sec) + hlsd_8.inp -16.80070757658132 OK ( 1.24 sec) + hlsd_9.inp -16.80070757658132 OK ( 1.13 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hirshfeld (14 of 45) done in 20.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-gpw-2-1 (15 of 45) Running H2-vib.inp Running H2-vib_tc.inp Running H2O-2.inp @@ -49597,17 +49632,17 @@ Running ZrO.inp Running Ar-12.inp Running Ar-13.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-gpw-2-1 - H2-vib.inp 3855.524137 OK ( 21.55 sec) - H2-vib_tc.inp -5.75148845 OK ( 21.20 sec) - H2O-2.inp -17.14619644944907 OK ( 2.55 sec) - H2O-3.inp -17.14553123442892 OK ( 2.10 sec) - H2O-4.inp -17.14677584577018 OK ( 1.75 sec) - ZrO.inp -62.20520122490111 OK ( 0.78 sec) - Ar-12.inp -21.04251999575894 OK ( 1.45 sec) - Ar-13.inp -21.12624107439697 OK ( 1.55 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-gpw-2-1 (15 of 45) done in 63.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/DFTB/regtest (16 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-gpw-2-1 + H2-vib.inp 3855.524137 OK ( 4.56 sec) + H2-vib_tc.inp -5.75148845 OK ( 4.54 sec) + H2O-2.inp -17.14619644944907 OK ( 0.75 sec) + H2O-3.inp -17.14553123442888 OK ( 0.80 sec) + H2O-4.inp -17.14677584577022 OK ( 0.81 sec) + ZrO.inp -62.20520122490112 OK ( 0.38 sec) + Ar-12.inp -21.04251999575894 OK ( 0.77 sec) + Ar-13.inp -21.12624107439697 OK ( 0.70 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-gpw-2-1 (15 of 45) done in 17.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/DFTB/regtest (16 of 45) Running wdim_scc.inp Running wdim_nonscc.inp Running wdimmc_scc.inp @@ -49623,35 +49658,35 @@ Running fdeb_5.inp Running fdeb_6.inp Running fdeb_7.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/DFTB/regtest - wdim_scc.inp -4.07355023693330 OK ( 0.19 sec) - wdim_nonscc.inp -4.10498450145550 OK ( 0.22 sec) - wdimmc_scc.inp -4.07060757309577 OK ( 0.18 sec) - wdimmc_nonscc.inp -4.10169797261567 OK ( 0.18 sec) - epc_1.inp -4.07357205844602 OK ( 0.22 sec) - epc_2.inp -4.07355023693330 OK ( 0.17 sec) - epc_3.inp -4.10500910796087 OK ( 0.22 sec) - epc_4.inp -4.07358020377115 OK ( 0.28 sec) - fdeb_1.inp - OK ( 1.68 sec) - fdeb_2.inp - OK ( 1.77 sec) - fdeb_3.inp - OK ( 1.74 sec) - fdeb_4.inp - OK ( 2.06 sec) - fdeb_5.inp - OK ( 1.51 sec) - fdeb_6.inp - OK ( 2.13 sec) - fdeb_7.inp - OK ( 2.63 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/DFTB/regtest (16 of 45) done in 25.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-gapw (17 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/DFTB/regtest + wdim_scc.inp -4.07355023693330 OK ( 0.11 sec) + wdim_nonscc.inp -4.10498450145550 OK ( 0.11 sec) + wdimmc_scc.inp -4.07060757309577 OK ( 0.12 sec) + wdimmc_nonscc.inp -4.10169797261567 OK ( 0.11 sec) + epc_1.inp -4.07357205844602 OK ( 0.13 sec) + epc_2.inp -4.07355023693330 OK ( 0.10 sec) + epc_3.inp -4.10500910796087 OK ( 0.13 sec) + epc_4.inp -4.07358020377115 OK ( 0.17 sec) + fdeb_1.inp - OK ( 0.97 sec) + fdeb_2.inp - OK ( 0.99 sec) + fdeb_3.inp - OK ( 0.83 sec) + fdeb_4.inp - OK ( 1.14 sec) + fdeb_5.inp - OK ( 0.85 sec) + fdeb_6.inp - OK ( 1.18 sec) + fdeb_7.inp - OK ( 1.43 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/DFTB/regtest (16 of 45) done in 15.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-gapw (17 of 45) Running C11H24-qmmmgapwall-gauss-0.inp Running C11H24-qmmmgapw-gauss-0.inp Running H2O-qmmm-gapw-fdbg.inp Running H2O-qmmm-hfx.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-gapw - C11H24-qmmmgapwall-gauss-0.inp -156.88271046728568 OK ( 3.46 sec) - C11H24-qmmmgapw-gauss-0.inp -28.0421973526 OK ( 3.81 sec) - H2O-qmmm-gapw-fdbg.inp -16.93909155475075 OK ( 11.13 sec) - H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 8.89 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-gapw (17 of 45) done in 31.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-4 (18 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-gapw + C11H24-qmmmgapwall-gauss-0.inp -156.88271046728579 OK ( 2.13 sec) + C11H24-qmmmgapw-gauss-0.inp -28.0421973526 OK ( 2.19 sec) + H2O-qmmm-gapw-fdbg.inp -16.93909155475075 OK ( 6.02 sec) + H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 5.00 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-gapw (17 of 45) done in 18.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-4 (18 of 45) Running crys_per_qmmm.inp Running crys_per_qmmm_anal.inp Running crys_per_qmmm_spln.inp @@ -49659,16 +49694,16 @@ Running acn-qmmm-re.inp Running acn-conn-1.inp Running wat_nacl.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-4 - crys_per_qmmm.inp -0.08375440741137 OK ( 3.03 sec) - crys_per_qmmm_anal.inp -0.03306937253966 OK ( 3.08 sec) - crys_per_qmmm_spln.inp -0.03306936689256 OK ( 3.25 sec) - crys_per_qmmm_none.inp -0.08375440741159 OK ( 2.04 sec) - acn-qmmm-re.inp -14.78512402427832 OK ( 1.19 sec) - acn-conn-1.inp -291.98859225545885 OK ( 6.82 sec) - wat_nacl.inp -16.691503876247356 OK ( 4.07 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-4 (18 of 45) done in 29.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/SE/regtest_2 (19 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-4 + crys_per_qmmm.inp -0.08375440741137 OK ( 1.68 sec) + crys_per_qmmm_anal.inp -0.03306937253966 OK ( 1.63 sec) + crys_per_qmmm_spln.inp -0.03306936689256 OK ( 1.80 sec) + crys_per_qmmm_none.inp -0.08375440741159 OK ( 1.13 sec) + acn-qmmm-re.inp -14.78512402428038 OK ( 0.64 sec) + acn-conn-1.inp -291.98859225547892 OK ( 4.01 sec) + wat_nacl.inp -16.691503876247360 OK ( 2.22 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-4 (18 of 45) done in 17.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/SE/regtest_2 (19 of 45) Running nh3_g4x6_excl_mm.inp Running nh3_g4x6_excl_qm.inp Running water_colv_excl_mm.inp @@ -49678,38 +49713,38 @@ Running water_g3x3_excl_mm.inp Running water_g3x3_excl_qm.inp Running Si_tersoff_qmmm.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/SE/regtest_2 - nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 1.42 sec) - nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 1.66 sec) - water_colv_excl_mm.inp -0.128071776255E+02 OK ( 1.56 sec) - water_colv_excl_qm.inp -0.128078086386E+02 OK ( 1.29 sec) - water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 0.74 sec) - water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 1.18 sec) - water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.88 sec) - water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 1.06 sec) - Si_tersoff_qmmm.inp -3418.06809308955917 OK ( 9.11 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/SE/regtest_2 (19 of 45) done in 26.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-mp2-1 (20 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/SE/regtest_2 + nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 0.58 sec) + nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 0.68 sec) + water_colv_excl_mm.inp -0.128071776255E+02 OK ( 0.64 sec) + water_colv_excl_qm.inp -0.128078086386E+02 OK ( 0.58 sec) + water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 0.39 sec) + water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 0.61 sec) + water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.46 sec) + water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 0.58 sec) + Si_tersoff_qmmm.inp -3418.06809308955917 OK ( 4.94 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/SE/regtest_2 (19 of 45) done in 14.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-mp2-1 (20 of 45) Running H2O-01.inp Running Li.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-mp2-1 - H2O-01.inp -76.263035235008019 OK ( 9.89 sec) - Li.inp -7.442887463667542 OK ( 13.76 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-mp2-1 (20 of 45) done in 26.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-gapw-2 (21 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-mp2-1 + H2O-01.inp -76.263035235008061 OK ( 5.50 sec) + Li.inp -7.442887463667542 OK ( 7.48 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-mp2-1 (20 of 45) done in 15.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-gapw-2 (21 of 45) Running Li-ROKS.inp Running NO2-ROKS.inp Running C-levelshift.inp Running H2-pbe-restart-run.inp Running H2-pbe-restart-rerun.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-gapw-2 - Li-ROKS.inp -7.33891040994162 OK ( 2.10 sec) - NO2-ROKS.inp -203.77833570926890 OK ( 3.89 sec) - C-levelshift.inp -37.44694658478296 OK ( 2.28 sec) - H2-pbe-restart-run.inp -0.60698327541574 OK ( 7.83 sec) - H2-pbe-restart-rerun.inp -0.60698327541580 OK ( 1.98 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-gapw-2 (21 of 45) done in 22.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-2-erf (22 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-gapw-2 + Li-ROKS.inp -7.33891040994163 OK ( 1.13 sec) + NO2-ROKS.inp -203.77833570926873 OK ( 2.47 sec) + C-levelshift.inp -37.44694658478304 OK ( 1.29 sec) + H2-pbe-restart-run.inp -0.60698327541574 OK ( 4.33 sec) + H2-pbe-restart-rerun.inp -0.60698327541580 OK ( 1.13 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-gapw-2 (21 of 45) done in 13.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-2-erf (22 of 45) Running H2O-qmmm-gauss-14-geep-2.inp Running H2O-qmmm-gauss-14-geep-3.inp Running H2O-qmmm-gauss-14-geep-4.inp @@ -49727,26 +49762,26 @@ Running H2O-qmmm-gauss-14-geep-16.inp Running H2O-qmmm-gauss-14-geep-17.inp Running H2O-qmmm-gauss-14-geep-18.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-2-erf - H2O-qmmm-gauss-14-geep-2.inp -12.90417644796165 OK ( 0.37 sec) - H2O-qmmm-gauss-14-geep-3.inp -12.90712061195546 OK ( 0.38 sec) - H2O-qmmm-gauss-14-geep-4.inp -12.90733560861529 OK ( 0.38 sec) - H2O-qmmm-gauss-14-geep-5.inp -12.92642686633595 OK ( 0.40 sec) - H2O-qmmm-gauss-14-geep-6.inp -12.92230602229946 OK ( 0.40 sec) - H2O-qmmm-gauss-14-geep-7.inp -12.91849696653162 OK ( 0.40 sec) - H2O-qmmm-gauss-14-geep-8.inp -12.91621682584172 OK ( 0.42 sec) - H2O-qmmm-gauss-14-geep-9.inp -12.91437166178084 OK ( 0.41 sec) - H2O-qmmm-gauss-14-geep-10.inp -12.91328069125565 OK ( 0.42 sec) - H2O-qmmm-gauss-14-geep-11.inp -12.91297474164552 OK ( 0.44 sec) - H2O-qmmm-gauss-14-geep-12.inp -12.91332340554848 OK ( 0.46 sec) - H2O-qmmm-gauss-14-geep-13.inp -12.91325023093051 OK ( 0.51 sec) - H2O-qmmm-gauss-14-geep-14.inp -12.91299456138533 OK ( 0.68 sec) - H2O-qmmm-gauss-14-geep-15.inp -12.91325018773327 OK ( 2.32 sec) - H2O-qmmm-gauss-14-geep-16.inp -12.91325925146032 OK ( 2.32 sec) - H2O-qmmm-gauss-14-geep-17.inp -12.91336718381654 OK ( 2.47 sec) - H2O-qmmm-gauss-14-geep-18.inp -12.91336753630998 OK ( 3.21 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-2-erf (22 of 45) done in 28.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-md-lgvregion (23 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-2-erf + H2O-qmmm-gauss-14-geep-2.inp -12.90417644796165 OK ( 0.21 sec) + H2O-qmmm-gauss-14-geep-3.inp -12.90712061195546 OK ( 0.22 sec) + H2O-qmmm-gauss-14-geep-4.inp -12.90733560861529 OK ( 0.24 sec) + H2O-qmmm-gauss-14-geep-5.inp -12.92642686633595 OK ( 0.23 sec) + H2O-qmmm-gauss-14-geep-6.inp -12.92230602229946 OK ( 0.24 sec) + H2O-qmmm-gauss-14-geep-7.inp -12.91849696653162 OK ( 0.23 sec) + H2O-qmmm-gauss-14-geep-8.inp -12.91621682584172 OK ( 0.24 sec) + H2O-qmmm-gauss-14-geep-9.inp -12.91437166178084 OK ( 0.24 sec) + H2O-qmmm-gauss-14-geep-10.inp -12.91328069125565 OK ( 0.24 sec) + H2O-qmmm-gauss-14-geep-11.inp -12.91297474164553 OK ( 0.26 sec) + H2O-qmmm-gauss-14-geep-12.inp -12.91332340554848 OK ( 0.27 sec) + H2O-qmmm-gauss-14-geep-13.inp -12.91325023093050 OK ( 0.29 sec) + H2O-qmmm-gauss-14-geep-14.inp -12.91299456138533 OK ( 0.40 sec) + H2O-qmmm-gauss-14-geep-15.inp -12.91325018773327 OK ( 1.30 sec) + H2O-qmmm-gauss-14-geep-16.inp -12.91325925146032 OK ( 1.29 sec) + H2O-qmmm-gauss-14-geep-17.inp -12.91336718381653 OK ( 1.37 sec) + H2O-qmmm-gauss-14-geep-18.inp -12.91336753630998 OK ( 1.84 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-2-erf (22 of 45) done in 17.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-md-lgvregion (23 of 45) Running langevin_regions-1.inp Running langevin_regions-2.inp Running langevin_regions-3.inp @@ -49754,41 +49789,41 @@ Running langevin_regions-5.inp Running langevin_regions-6.inp Running langevin_regions-7.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-md-lgvregion - langevin_regions-1.inp -34.28350503206948 OK ( 2.29 sec) - langevin_regions-2.inp -34.29678107182622 OK ( 2.24 sec) - langevin_regions-3.inp -34.28350503206948 OK ( 2.26 sec) - langevin_regions-4.inp -34.28727344254563 OK ( 2.56 sec) - langevin_regions-5.inp -34.36743843099394 OK ( 3.14 sec) - langevin_regions-6.inp -34.36335813031120 OK ( 3.25 sec) - langevin_regions-7.inp -34.37404120268109 OK ( 3.47 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-md-lgvregion (23 of 45) done in 25.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-almo-eda (24 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-md-lgvregion + langevin_regions-1.inp -34.28350503206947 OK ( 1.28 sec) + langevin_regions-2.inp -34.29678107182618 OK ( 1.20 sec) + langevin_regions-3.inp -34.28350503206948 OK ( 1.20 sec) + langevin_regions-4.inp -34.28727344254602 OK ( 1.24 sec) + langevin_regions-5.inp -34.36743843099393 OK ( 1.76 sec) + langevin_regions-6.inp -34.36335813031158 OK ( 1.75 sec) + langevin_regions-7.inp -34.37404120268193 OK ( 1.72 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-md-lgvregion (23 of 45) done in 14.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-almo-eda (24 of 45) Running almo-eda-x.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-almo-eda - almo-eda-x.inp -85.963743073602743 OK ( 22.04 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-almo-eda (24 of 45) done in 23.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-epr-2 (25 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-almo-eda + almo-eda-x.inp -85.963743073602771 OK ( 12.28 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-almo-eda (24 of 45) done in 14.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-epr-2 (25 of 45) Running NO2-EPR-1.inp Running NO2-EPR-2.inp Running NO2-EPR-3.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-epr-2 - NO2-EPR-1.inp -0.344563E-02 OK ( 49.51 sec) - NO2-EPR-2.inp -0.252817E-02 OK ( 4.01 sec) - NO2-EPR-3.inp -0.358602E-02 OK ( 5.33 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-epr-2 (25 of 45) done in 62.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hybrid-1 (26 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-epr-2 + NO2-EPR-1.inp -0.344563E-02 OK ( 6.20 sec) + NO2-EPR-2.inp -0.252817E-02 OK ( 2.09 sec) + NO2-EPR-3.inp -0.358602E-02 OK ( 3.02 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-epr-2 (25 of 45) done in 14.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hybrid-1 (26 of 45) Running H2O-hybrid-bhandh.inp Running H2O-hybrid-bhandhlyp.inp Running H2O-hybrid-pbe0.inp Running H2O-hybrid-b3lyp.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hybrid-1 - H2O-hybrid-bhandh.inp -75.90482120088632 OK ( 3.89 sec) - H2O-hybrid-bhandhlyp.inp -76.33558053104213 OK ( 3.98 sec) - H2O-hybrid-pbe0.inp -76.31995335312720 OK ( 4.50 sec) - H2O-hybrid-b3lyp.inp -76.37338940401898 OK ( 4.86 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-hybrid-1 (26 of 45) done in 23.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/FARMING/regtest-1 (27 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hybrid-1 + H2O-hybrid-bhandh.inp -75.90482120088632 OK ( 1.98 sec) + H2O-hybrid-bhandhlyp.inp -76.33558053104213 OK ( 2.04 sec) + H2O-hybrid-pbe0.inp -76.31995335312720 OK ( 2.13 sec) + H2O-hybrid-b3lyp.inp -76.37338940401898 OK ( 2.08 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-hybrid-1 (26 of 45) done in 11.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/FARMING/regtest-1 (27 of 45) Running farming-1.inp Running farming-2.inp Running farming-3.inp @@ -49798,18 +49833,18 @@ Running farming-7.inp Running farming-8.inp Running farming-9.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/FARMING/regtest-1 - farming-1.inp - OK ( 1.20 sec) - farming-2.inp - OK ( 1.30 sec) - farming-3.inp - OK ( 1.29 sec) - farming-4.inp - OK ( 1.11 sec) - farming-5.inp - OK ( 1.28 sec) - farming-6.inp - OK ( 0.97 sec) - farming-7.inp - OK ( 1.14 sec) - farming-8.inp - OK ( 1.11 sec) - farming-9.inp - OK ( 0.25 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/FARMING/regtest-1 (27 of 45) done in 15.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-ot-refine-3 (28 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/FARMING/regtest-1 + farming-1.inp - OK ( 0.63 sec) + farming-2.inp - OK ( 0.64 sec) + farming-3.inp - OK ( 0.65 sec) + farming-4.inp - OK ( 0.63 sec) + farming-5.inp - OK ( 0.71 sec) + farming-6.inp - OK ( 0.57 sec) + farming-7.inp - OK ( 0.62 sec) + farming-8.inp - OK ( 0.62 sec) + farming-9.inp - OK ( 0.14 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/FARMING/regtest-1 (27 of 45) done in 9.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-ot-refine-3 (28 of 45) Running h2o_ot_lwdn_on_the_fly_l1.inp Running h2o_ot_poly_on_the_fly_l1.inp Running o2_ot_lwdn_on_the_fly_l1.inp @@ -49822,21 +49857,21 @@ Running h2o_ot_precond_2.inp Running h2o_ot_precond_3.inp Running h2o_ot_precond_4.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-ot-refine-3 - h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683759 OK ( 0.69 sec) - h2o_ot_poly_on_the_fly_l1.inp -17.13045715683758 OK ( 0.75 sec) - o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232880 OK ( 1.23 sec) - o2_ot_poly_on_the_fly_l1.inp -31.70815200232881 OK ( 1.39 sec) - h2o_ot_refine_3.inp -17.08884672065208 OK ( 0.47 sec) - h2o_ot_refine_4.inp -17.11857283464184 OK ( 0.45 sec) - o2_ot_refine_3.inp -31.60858514413036 OK ( 0.75 sec) - o2_ot_refine_4.inp -31.58768162895336 OK ( 0.65 sec) - h2o_ot_precond_1.inp -16.05766867329451 OK ( 0.25 sec) - h2o_ot_precond_2.inp -16.06790080254982 OK ( 0.20 sec) - h2o_ot_precond_3.inp -16.02559849783378 OK ( 0.30 sec) - h2o_ot_precond_4.inp -15.85782186391542 OK ( 0.26 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-ot-refine-3 (28 of 45) done in 16.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/Fist/regtest-11 (29 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-ot-refine-3 + h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683758 OK ( 0.38 sec) + h2o_ot_poly_on_the_fly_l1.inp -17.13045715683759 OK ( 0.43 sec) + o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232883 OK ( 0.70 sec) + o2_ot_poly_on_the_fly_l1.inp -31.70815200232883 OK ( 0.71 sec) + h2o_ot_refine_3.inp -17.08884672065208 OK ( 0.26 sec) + h2o_ot_refine_4.inp -17.11857283464184 OK ( 0.25 sec) + o2_ot_refine_3.inp -31.60858514413036 OK ( 0.42 sec) + o2_ot_refine_4.inp -31.58768162895336 OK ( 0.37 sec) + h2o_ot_precond_1.inp -16.05766867329451 OK ( 0.13 sec) + h2o_ot_precond_2.inp -16.06790080254982 OK ( 0.12 sec) + h2o_ot_precond_3.inp -16.02559849783378 OK ( 0.14 sec) + h2o_ot_precond_4.inp -15.85782186391542 OK ( 0.12 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-ot-refine-3 (28 of 45) done in 10.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/Fist/regtest-11 (29 of 45) Running H2O-32_NVT_CSVR_gen1.inp Running H2O-32_NVT_CSVR_gen2.inp Running H2O-32_NVT_CSVR_gen3.inp @@ -49850,151 +49885,151 @@ Running H2O-32_NVT_NOSE_gen_noCNS2.inp Running H2O-32_NVT_NOSE_gen_noCNS2_R.inp Running H2O-32_NVT_CSVR_gen_noCNS3.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/Fist/regtest-11 - H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.36 sec) - H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.37 sec) - H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.35 sec) - H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.34 sec) - H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.39 sec) - H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.34 sec) - H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.42 sec) - H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.33 sec) - H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.39 sec) - H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.40 sec) - H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 0.45 sec) - H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.35 sec) - H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.36 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/Fist/regtest-11 (29 of 45) done in 13.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-cdft-3-1 (30 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/Fist/regtest-11 + H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.20 sec) + H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.21 sec) + H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.24 sec) + H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.23 sec) + H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.22 sec) + H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.20 sec) + H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.22 sec) + H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.20 sec) + H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.22 sec) + H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.20 sec) + H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 0.22 sec) + H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.21 sec) + H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.21 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/Fist/regtest-11 (29 of 45) done in 9.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-cdft-3-1 (30 of 45) Running HeH-noconstraint.inp Running HeH-cdft-state-1.inp Running HeH-cdft-state-2-reversed.inp Running HeH-mixed-cdft-reversed-1.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-cdft-3-1 - HeH-noconstraint.inp -3.01067446615024 OK ( 3.01 sec) - HeH-cdft-state-1.inp 0.048406444542 OK ( 4.18 sec) - HeH-cdft-state-2-reversed.inp -1.819391902441 OK ( 4.71 sec) - HeH-mixed-cdft-reversed-1.inp 616.641603572904 OK ( 1.17 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-cdft-3-1 (30 of 45) done in 16.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/NEB/regtest-1 (31 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-cdft-3-1 + HeH-noconstraint.inp -3.01067446615024 OK ( 1.66 sec) + HeH-cdft-state-1.inp 0.048406444542 OK ( 2.23 sec) + HeH-cdft-state-2-reversed.inp -1.819391902441 OK ( 2.51 sec) + HeH-mixed-cdft-reversed-1.inp 616.641603572904 OK ( 0.59 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-cdft-3-1 (30 of 45) done in 9.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/NEB/regtest-1 (31 of 45) Running 2gly_B-NEB.inp Running 2gly_CI-NEB.inp Running 2gly_EB-NEB.inp Running 2gly_IT-NEB.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/NEB/regtest-1 - 2gly_B-NEB.inp -0.25722568775196 OK ( 1.79 sec) - 2gly_CI-NEB.inp -0.18925537289844 OK ( 1.67 sec) - 2gly_EB-NEB.inp 49.27319370383326 OK ( 1.65 sec) - 2gly_IT-NEB.inp 0.38518828458560 OK ( 1.34 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/NEB/regtest-1 (31 of 45) done in 10.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-pao-3 (32 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/NEB/regtest-1 + 2gly_B-NEB.inp -0.25722568775196 OK ( 0.98 sec) + 2gly_CI-NEB.inp -0.18925537289845 OK ( 0.98 sec) + 2gly_EB-NEB.inp 49.27319370383326 OK ( 0.98 sec) + 2gly_IT-NEB.inp 0.38518828458560 OK ( 0.78 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/NEB/regtest-1 (31 of 45) done in 7.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-pao-3 (32 of 45) Running He_ref.inp Running He_pao_initguess_exp.inp Running He_pao_initguess_fock.inp Running He_pao_initguess_rotinv.inp Running He_pao_initguess_gth.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-pao-3 - He_ref.inp -2.889334869153364 OK ( 1.53 sec) - He_pao_initguess_exp.inp -2.888972913350806 OK ( 0.86 sec) - He_pao_initguess_fock.inp -2.888972913350806 OK ( 0.99 sec) - He_pao_initguess_rotinv.inp -2.888972913350806 OK ( 0.86 sec) - He_pao_initguess_gth.inp -2.888972913350806 OK ( 0.85 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-pao-3 (32 of 45) done in 9.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/optimize_input/regtest-1 (33 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-pao-3 + He_ref.inp -2.889334869153364 OK ( 0.83 sec) + He_pao_initguess_exp.inp -2.888972913350806 OK ( 0.48 sec) + He_pao_initguess_fock.inp -2.888972913350806 OK ( 0.48 sec) + He_pao_initguess_rotinv.inp -2.888972913350806 OK ( 0.48 sec) + He_pao_initguess_gth.inp -2.888972913350806 OK ( 0.48 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-pao-3 (32 of 45) done in 5.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/optimize_input/regtest-1 (33 of 45) Running argon-ref.inp Running driver.inp Running driver-restart.inp Running driver-stride.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/optimize_input/regtest-1 - argon-ref.inp - OK ( 0.11 sec) - driver.inp 0.1072347063760515E+03 OK ( 0.55 sec) - driver-restart.inp 0.1076965059321597E+03 OK ( 0.98 sec) - driver-stride.inp 0.1072343388958498E+03 OK ( 0.32 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/optimize_input/regtest-1 (33 of 45) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-properties/resp (34 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/optimize_input/regtest-1 + argon-ref.inp - OK ( 0.07 sec) + driver.inp 0.1072347063760515E+03 OK ( 0.33 sec) + driver-restart.inp 0.1076965059321598E+03 OK ( 0.57 sec) + driver-stride.inp 0.1072343388958498E+03 OK ( 0.16 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/optimize_input/regtest-1 (33 of 45) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-properties/resp (34 of 45) Running CH3OH_nonperiodic.inp Running CH3OH_periodic.inp Running graphite.inp Running CH3OH_periodic_repeat.inp Running graphite_REPEAT.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-properties/resp - CH3OH_nonperiodic.inp 4.418290 OK ( 0.91 sec) - CH3OH_periodic.inp 2.456029 OK ( 0.74 sec) - graphite.inp -1.073313 OK ( 4.15 sec) - CH3OH_periodic_repeat.inp -4.871712 OK ( 0.68 sec) - graphite_REPEAT.inp 0.006058 OK ( 5.67 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-properties/resp (34 of 45) done in 16.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-nmr-2 (35 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-properties/resp + CH3OH_nonperiodic.inp 4.418290 OK ( 0.47 sec) + CH3OH_periodic.inp 2.456029 OK ( 0.39 sec) + graphite.inp -1.073313 OK ( 2.16 sec) + CH3OH_periodic_repeat.inp -4.871712 OK ( 0.39 sec) + graphite_REPEAT.inp 0.006058 OK ( 2.19 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-properties/resp (34 of 45) done in 9.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-nmr-2 (35 of 45) Running He_nmr_full.inp Running he2_bug_disp.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-nmr-2 - He_nmr_full.inp 0.198893E+03 OK ( 8.55 sec) - he2_bug_disp.inp 0.144732E+03 OK ( 1.85 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-nmr-2 (35 of 45) done in 13.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/SE/regtest-3-1 (36 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-nmr-2 + He_nmr_full.inp 0.198893E+03 OK ( 4.78 sec) + he2_bug_disp.inp 0.144732E+03 OK ( 0.93 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-nmr-2 (35 of 45) done in 7.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/SE/regtest-3-1 (36 of 45) Running H2O-MNDO-2.inp Running H-0.inp Running H2-0.inp Running H2.inp Running H2O-MNDO.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/SE/regtest-3-1 - H2O-MNDO-2.inp -351.42145109555821 OK ( 0.36 sec) - H-0.inp -0.319258384771667 OK ( 0.09 sec) - H2-0.inp -0.993280881213763 OK ( 0.22 sec) - H2.inp -0.037305167769230 OK ( 0.16 sec) - H2O-MNDO.inp -12.913048351744973 OK ( 0.95 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/SE/regtest-3-1 (36 of 45) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-optbas (37 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/SE/regtest-3-1 + H2O-MNDO-2.inp -351.42145109555821 OK ( 0.23 sec) + H-0.inp -0.319258384771667 OK ( 0.05 sec) + H2-0.inp -0.993280881213763 OK ( 0.12 sec) + H2.inp -0.037305167769230 OK ( 0.10 sec) + H2O-MNDO.inp -12.913048351744973 OK ( 0.54 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/SE/regtest-3-1 (36 of 45) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-optbas (37 of 45) Running H2O-ref.inp Running opt-1.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-optbas - H2O-ref.inp -17.02896604845310 OK ( 1.96 sec) - opt-1.inp -.46916008E+03 OK ( 6.24 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-optbas (37 of 45) done in 10.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-linearscaling (38 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-optbas + H2O-ref.inp -17.02896604845311 OK ( 1.14 sec) + opt-1.inp -.46916008E+03 OK ( 3.04 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-optbas (37 of 45) done in 6.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-linearscaling (38 of 45) Running test-shrt.inp Running w3-filter.inp Running w3-filter-2.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-linearscaling - test-shrt.inp - OK ( 1.00 sec) - w3-filter.inp -51.14051793253692 OK ( 1.37 sec) - w3-filter-2.inp -78.30555080313752 OK ( 0.53 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-linearscaling (38 of 45) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/SWARM/regtest-glbopt-1 (39 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-linearscaling + test-shrt.inp - OK ( 0.50 sec) + w3-filter.inp -51.14051793253682 OK ( 0.80 sec) + w3-filter-2.inp -78.30555080313751 OK ( 0.27 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-linearscaling (38 of 45) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/SWARM/regtest-glbopt-1 (39 of 45) Running LJ10_minhop_1.inp Running LJ10_minhop_2.inp Running LJ10_mincrawl_1.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/SWARM/regtest-glbopt-1 - LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.55 sec) - LJ10_minhop_2.inp -0.28421835E-01 OK ( 0.33 sec) - LJ10_mincrawl_1.inp -0.28421931E-01 OK ( 1.71 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/SWARM/regtest-glbopt-1 (39 of 45) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/TAMC/regtest (40 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/SWARM/regtest-glbopt-1 + LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.25 sec) + LJ10_minhop_2.inp -0.28421835E-01 OK ( 0.14 sec) + LJ10_mincrawl_1.inp -0.28421579E-01 OK ( 3.58 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/SWARM/regtest-glbopt-1 (39 of 45) done in 6.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/TAMC/regtest (40 of 45) Running dimer.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/TAMC/regtest - dimer.inp -31.336010754132538 OK ( 6.95 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/TAMC/regtest (40 of 45) done in 9.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-lsroks (41 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/TAMC/regtest + dimer.inp -31.336010754062873 OK ( 3.84 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/TAMC/regtest (40 of 45) done in 5.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-lsroks (41 of 45) Running O2.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-lsroks - O2.inp -31.43642997434225 OK ( 3.77 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-lsroks (41 of 45) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-lrigpw (42 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-lsroks + O2.inp -31.43642997434222 OK ( 2.06 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-lsroks (41 of 45) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-lrigpw (42 of 45) Running C11H24-qmmm-gauss-0-lrigpw.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-lrigpw - C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097395 OK ( 2.76 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QMMM/QS/regtest-lrigpw (42 of 45) done in 4.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/FE/regtest-2 (43 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-lrigpw + C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097324 OK ( 1.42 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QMMM/QS/regtest-lrigpw (42 of 45) done in 3.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/FE/regtest-2 (43 of 45) Running Solv_alch_chng.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/FE/regtest-2 - Solv_alch_chng.inp -0.732003926645E+01 OK ( 5.40 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/FE/regtest-2 (43 of 45) done in 7.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-fftw (44 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/FE/regtest-2 + Solv_alch_chng.inp -0.732003926645E+01 OK ( 2.94 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/FE/regtest-2 (43 of 45) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-fftw (44 of 45) Running H2-big-1.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-fftw - H2-big-1.inp -28.149134408983134 OK ( 1.80 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-fftw (44 of 45) done in 4.00 sec -Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-dm-ls-scf-4 (45 of 45) +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-fftw + H2-big-1.inp -28.149134408983134 OK ( 1.11 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-fftw (44 of 45) done in 3.00 sec +Starting regression tests in /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-dm-ls-scf-4 (45 of 45) Running H2O-dft-ls-DEFAULTS.inp Running H2O-dft-ls-NEWTONSCHULZ.inp Running H2O-dft-ls-PROOT3.inp @@ -50011,40 +50046,40 @@ Running H2O-dft-ls-SUBMATRIX-DIRECT.inp Running H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp Running H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp ->>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-dm-ls-scf-4 - H2O-dft-ls-DEFAULTS.inp -17.031737705911862 OK ( 1.12 sec) - H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705911862 OK ( 1.11 sec) - H2O-dft-ls-PROOT3.inp -17.031737715859496 OK ( 1.14 sec) - H2O-dft-ls-PROOT4.inp -17.031737702677436 OK ( 1.16 sec) - H2O-dft-ls-PROOT5.inp -17.031737600351722 OK ( 1.14 sec) - H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706155742 OK ( 1.17 sec) - H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706155738 OK ( 1.15 sec) - H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706155742 OK ( 1.18 sec) - H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706155671 OK ( 1.24 sec) - H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162179 OK ( 1.15 sec) - H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705911862 OK ( 1.13 sec) - H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705911862 OK ( 1.20 sec) - H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706155742 OK ( 1.21 sec) - H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706155742 OK ( 1.12 sec) - H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706155738 OK ( 1.11 sec) - H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706155738 OK ( 1.21 sec) -<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/tests/QS/regtest-dm-ls-scf-4 (45 of 45) done in 29.00 sec +>>> /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-dm-ls-scf-4 + H2O-dft-ls-DEFAULTS.inp -17.031737705911862 OK ( 0.64 sec) + H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705911862 OK ( 0.64 sec) + H2O-dft-ls-PROOT3.inp -17.031737715859492 OK ( 0.65 sec) + H2O-dft-ls-PROOT4.inp -17.031737702677436 OK ( 0.66 sec) + H2O-dft-ls-PROOT5.inp -17.031737600351722 OK ( 0.67 sec) + H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706155742 OK ( 0.67 sec) + H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706155738 OK ( 0.64 sec) + H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706155742 OK ( 0.67 sec) + H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706155667 OK ( 0.71 sec) + H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162179 OK ( 0.67 sec) + H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705911862 OK ( 0.71 sec) + H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705911862 OK ( 0.66 sec) + H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706155742 OK ( 0.64 sec) + H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706155742 OK ( 0.66 sec) + H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706155731 OK ( 0.66 sec) + H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706155742 OK ( 0.63 sec) +<<< /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/tests/QS/regtest-dm-ls-scf-4 (45 of 45) done in 17.00 sec -------------------------------------------------------------------------- -------------------------------------------------------------------------- - regtesting location summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/summary.txt - regtesting location error_summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/error_summary - regtesting location memory_summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54/memory_summary - regtesting location output dir: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-i686-gfortran-psmp-2024-01-12_11-53-54 - regtesting location last dir: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//LAST-Linux-i686-gfortran-psmp + regtesting location summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/summary.txt + regtesting location error_summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/error_summary + regtesting location memory_summary file: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13/memory_summary + regtesting location output dir: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-02-14_21-52-13 + regtesting location last dir: /build/reproducible-path/cp2k-8.1/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-psmp --------------------------------- Timings -------------------------------- Plot: name="timings", title="Timing Distribution", ylabel="time [s]" -PlotPoint: name="100th_percentile", plot="timings", label="100th %ile", y=78.06, yerr=0.0 -PlotPoint: name="99th_percentile", plot="timings", label="99th %ile", y=44.72499999999982, yerr=0.0 -PlotPoint: name="98th_percentile", plot="timings", label="98th %ile", y=35.52680000000001, yerr=0.0 -PlotPoint: name="95th_percentile", plot="timings", label="95th %ile", y=23.191999999999986, yerr=0.0 -PlotPoint: name="90th_percentile", plot="timings", label="90th %ile", y=15.224, yerr=0.0 -PlotPoint: name="80th_percentile", plot="timings", label="80th %ile", y=5.766000000000002, yerr=0.0 +PlotPoint: name="100th_percentile", plot="timings", label="100th %ile", y=40.22, yerr=0.0 +PlotPoint: name="99th_percentile", plot="timings", label="99th %ile", y=22.522799999999826, yerr=0.0 +PlotPoint: name="98th_percentile", plot="timings", label="98th %ile", y=17.43400000000002, yerr=0.0 +PlotPoint: name="95th_percentile", plot="timings", label="95th %ile", y=12.4, yerr=0.0 +PlotPoint: name="90th_percentile", plot="timings", label="90th %ile", y=6.448, yerr=0.0 +PlotPoint: name="80th_percentile", plot="timings", label="80th %ile", y=3.0140000000000007, yerr=0.0 --------------------------------- Summary -------------------------------- Number of FAILED tests 0 @@ -50053,20 +50088,20 @@ Total number of tests 367 GREPME 0 0 367 0 367 X -Summary: correct: 367 / 367; 34min +Summary: correct: 367 / 367; 18min Status: OK -------------------------------------------------------------------------- -Regtest took 2055.00 seconds. +Regtest took 1051.00 seconds. -------------------------------------------------------------------------- -Fri Jan 12 12:28:08 -12 2024 +Fri Feb 14 22:09:43 +14 2025 *************************** testing ended ******************************** make[1]: Leaving directory '/build/reproducible-path/cp2k-8.1' create-stamp debian/debhelper-build-stamp dh_prep dh_installdirs dh_auto_install - make -j8 install DESTDIR=/build/reproducible-path/cp2k-8.1/debian/tmp AM_UPDATE_INFO_DIR=no + make -j15 install DESTDIR=/build/reproducible-path/cp2k-8.1/debian/tmp AM_UPDATE_INFO_DIR=no make[1]: Entering directory '/build/reproducible-path/cp2k-8.1' Discovering programs ... Makefile:280: target 'install' does not exist @@ -50105,12 +50140,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/71933/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/71933/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/9161 and its subdirectories -I: Current time: Fri Jan 12 12:29:27 -12 2024 -I: pbuilder-time-stamp: 1705105767 +I: removing directory /srv/workspace/pbuilder/71933 and its subdirectories +I: Current time: Fri Feb 14 22:10:40 +14 2025 +I: pbuilder-time-stamp: 1739520640